Beskrivelse Diiodohydantoin · CAS 2232-12-4 · C3H2I2N2O2. InChIKey JKZOMQGCLXJWFO-UHFFFAOYSA-N. Identifikation CAS registreringsnummer2232-12-4PubChem CID67212486Molekylær formelC3H2I2N2O2IUPAC navn5,5-diiodoimidazolidine-2,4-dioneInChIKeyJKZOMQGCLXJWFO-UHFFFAOYSA-N Beregnet deskriptorer Molekylvægt351.87Antal brintbonddonorer2Antal brintbindingsacceptorer2Roterbar Bond Count0Præcis…
Beskrivelse Dibromohydantoin · CAS 77-48-5 · C3H2Br2N2O2. InChIKey MENYRYNFSIBDQN-UHFFFAOYSA-N. Identifikation CAS registreringsnummer77-48-5PubChem CID54068228Molekylær formelC3H2Br2N2O2IUPAC navn5,5-dibromoimidazolidine-2,4-dioneInChIKeyMENYRYNFSIBDQN-UHFFFAOYSA-N Beregnet deskriptorer Molekylvægt257.87Antal brintbonddonorer2Antal brintbindingsacceptorer2Roterbar Bond Count0Præcis…
Beskrivelse Theacrine · CAS 2309-49-1 · C9H12N4O3. InChIKey QGDOQULISIQFHQ-UHFFFAOYSA-N. Identifikation CAS registreringsnummer2309-49-1PubChem CID75324Molekylær formelC9H12N4O3IUPAC navn1,3,7,9-tetramethylpurine-2,6,8-trioneInChIKeyQGDOQULISIQFHQ-UHFFFAOYSA-N Beregnet deskriptorer Molekylvægt224.22Antal brintbonddonorer0Antal brintbindingsacceptorer3Roterbar Bond Count0Præcis…
Beskrivelse Aluminum Glycinate · CAS 52729-29-0 · C6H12AlN3O6. InChIKey RUJUQAPQALJUPC-UHFFFAOYSA-K. Identifikation CAS registreringsnummer52729-29-0PubChem CID6452712Molekylær formelC6H12AlN3O6IUPAC navnaluminum tris(2-aminoacetate)InChIKeyRUJUQAPQALJUPC-UHFFFAOYSA-K Beregnet deskriptorer Molekylvægt249.16Antal brintbonddonorer3Antal brintbindingsacceptorer9Roterbar…
Beskrivelse Calcium Isocaprylate · CAS 136-51-6 · C16H30CaO4. InChIKey LTPCXXMGKDQPAO-UHFFFAOYSA-L. Identifikation CAS registreringsnummer136-51-6PubChem CID61082Molekylær formelC16H30CaO4IUPAC navncalcium bis(2-ethylhexanoate)InChIKeyLTPCXXMGKDQPAO-UHFFFAOYSA-L Beregnet deskriptorer Molekylvægt326.48Antal brintbonddonorer0Antal brintbindingsacceptorer4Roterbar…
Beskrivelse Calcium Acetyl Taurate · CAS 69538-63-2 · C8H16CaN2O8S2. InChIKey XCVJUIGEYFWJLC-UHFFFAOYSA-L. Identifikation CAS registreringsnummer69538-63-2PubChem CID20521520Molekylær formelC8H16CaN2O8S2IUPAC navncalcium bis(2-acetamidoethanesulfonate)InChIKeyXCVJUIGEYFWJLC-UHFFFAOYSA-L Beregnet deskriptorer Molekylvægt372.4Antal brintbonddonorer2Antal…
Beskrivelse Calcium Taurate · CAS not separately registered in PubChem · C4H12CaN2O6S2. InChIKey QRCOITRESWXMIX-UHFFFAOYSA-L. Identifikation CAS registreringsnummer—PubChem CID9947880Molekylær formelC4H12CaN2O6S2IUPAC navncalcium bis(2-aminoethanesulfonate)InChIKeyQRCOITRESWXMIX-UHFFFAOYSA-L Beregnet…
Beskrivelse Aprotinin · CAS 9087-70-1 · C284H432N84O79S7. UNII 04XPW8C0FL. Smeltepunkt: >100 °C. Identifikation CAS registreringsnummer9087-70-1PubChem CID16130295Molekylær formelC284H432N84O79S7UNII (FDA)04XPW8C0FL Beregnet deskriptorer Molekylvægt6511XLogP3-25.4Antal brintbonddonorer93Antal…
Beskrivelse MEGA-10 · CAS 85261-20-7 · C17H35NO6. UNII 9Q27ZA5M8G. Identifikation CAS registreringsnummer85261-20-7PubChem CID174432Molekylær formelC17H35NO6IUPAC navnN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamideUNII (FDA)9Q27ZA5M8G Beregnet deskriptorer Molekylvægt349.5XLogP30.6Antal brintbonddonorer5Antal brintbindingsacceptorer6Roterbar Bond…
Beskrivelse Bovine Serum Albumin · CAS 9048-46-8 · MW 66430.00 g/mol. Amino acid residues: 583; Molecular mass: 66.5 kDa (66,430 Da); Isoelectric…
Beskrivelse RNase A · CAS 9001-99-4 · C9H14N4O3. UNII NS00014799. Identifikation CAS registreringsnummer9001-99-4PubChem CID9369Molekylær formelC9H14N4O3IUPAC navn2-(3-aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acidUNII (FDA)NS00014799 Beregnet deskriptorer Molekylvægt226.23XLogP3-4Antal brintbonddonorer4Antal…
Beskrivelse 1-Naphthyl Acetate · CAS 830-81-9 · C12H10O2. Damptryk: 0.000761 [mmHg]; LogP: 2.78. Identifikation CAS registreringsnummer830-81-9PubChem CID13247Molekylær formelC12H10O2IUPAC navnnaphthalen-1-yl acetate Beregnet deskriptorer…
Beskrivelse MEGA-8 · CAS 85316-98-9 · C15H31NO6. UNII P3TDB90KLN. Identifikation CAS registreringsnummer85316-98-9PubChem CID160091Molekylær formelC15H31NO6IUPAC navnN-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]octanamideUNII (FDA)P3TDB90KLN Beregnet deskriptorer Molekylvægt321.41XLogP3-0.4Antal brintbonddonorer5Antal brintbindingsacceptorer6Roterbar Bond…
Beskrivelse MAOS · CAS 82692-97-5 · C13H20NNaO4S. Identifikation CAS registreringsnummer82692-97-5PubChem CID53393748Molekylær formelC13H20NNaO4SIUPAC navnsodium 3-(N-ethyl-3,5-dimethylanilino)-2-hydroxypropane-1-sulfonate Beregnet deskriptorer Molekylvægt309.36Antal brintbonddonorer1Antal brintbindingsacceptorer5Roterbar Bond Count6Præcis masse309.10107357Monoisotopisk…
Beskrivelse Diatrizoate Sodium · CAS 737-31-5 · C11H8I3N2NaO4. UNII V5403H8VG7. Smeltepunkt: 261-262 °C (decomposes). Identifikation CAS registreringsnummer737-31-5PubChem CID23672589Molekylær formelC11H8I3N2NaO4IUPAC navnsodium 3,5-diacetamido-2,4,6-triiodobenzoateUNII (FDA)V5403H8VG7…
Beskrivelse TOOS · CAS 82692-93-1 · C12H18NNaO4S. Identifikation CAS registreringsnummer82692-93-1PubChem CID23676159Molekylær formelC12H18NNaO4SIUPAC navnsodium 3-(N-ethyl-3-methylanilino)-2-hydroxypropane-1-sulfonate Beregnet deskriptorer Molekylvægt295.33Antal brintbonddonorer1Antal brintbindingsacceptorer5Roterbar Bond Count6Præcis masse295.08542351Monoisotopisk…
Beskrivelse AMPSO · CAS 68399-79-1 · C7H17NO5S. UNII NS00062538. Identifikation CAS registreringsnummer68399-79-1PubChem CID100211Molekylær formelC7H17NO5SIUPAC navn2-hydroxy-3-[(1-hydroxy-2-methylpropan-2-yl)amino]propane-1-sulfonic acidUNII (FDA)NS00062538 Beregnet deskriptorer Molekylvægt227.28XLogP3-4.3Antal brintbonddonorer4Antal brintbindingsacceptorer6Roterbar…
Beskrivelse 2',7'-Dichlorofluorescein · CAS 76-54-0 · C20H10Cl2O5. UNII 56NQM5UZT1. Identifikation CAS registreringsnummer76-54-0PubChem CID64944Molekylær formelC20H10Cl2O5IUPAC navn2',7'-dichloro-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-oneUNII (FDA)56NQM5UZT1 Beregnet deskriptorer Molekylvægt401.2XLogP34.7Antal brintbonddonorer2Antal brintbindingsacceptorer5Roterbar Bond…
Beskrivelse EGTA · CAS 67-42-5 · C14H24N2O10. UNII 526U7A2651. Identifikation CAS registreringsnummer67-42-5PubChem CID6207Molekylær formelC14H24N2O10IUPAC navn2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acidUNII (FDA)526U7A2651 Beregnet deskriptorer Molekylvægt380.35XLogP3-6.2Antal brintbonddonorer4Antal brintbindingsacceptorer12Roterbar…
Beskrivelse CHAPS · CAS 75621-03-3 · C32H58N2O7S. UNII QBP25342AG. Identifikation CAS registreringsnummer75621-03-3PubChem CID107670Molekylær formelC32H58N2O7SIUPAC navn3-[dimethyl-[3-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propyl]azaniumyl]propane-1-sulfonateUNII (FDA)QBP25342AG Beregnet deskriptorer Molekylvægt614.9XLogP32.9Antal brintbonddonorer4Antal brintbindingsacceptorer7Roterbar Bond…
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