[2-[(8S,9S,10R,13S,14S,17R)-17-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy]-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate
[CAS# 74517-56-9]

Identification

• Name: [2-[(8S,9S,10R,13S,14S,17R)-17-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxopyrimidin-1-Yl)-3,4-Dihydroxyoxolan-2-Yl]Methoxy]-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate
• Synonyms: [2-[(8S,9S,10R,13S,14S,17R)-17-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] Dihydrogen Phosphate; [2-[(8S,9S,10R,13S,14S,17R)-17-[[(2R,3S,4S,5R)-5-(4-Amino-2-Oxo-1-Pyrimidinyl)-3,4-Dihydroxy-2-Tetrahydrofuranyl]Methoxy]-10,13-Dimethyl-3,11-Dioxo-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Dihydrogen Phosphate; [2-[(8S,9S,10R,13S,14S,17R)-17-[[(2R,3S,4S,5R)-5-(4-Amino-2-Keto-Pyrimidin-1-Yl)-3,4-Dihydroxy-Tetrahydrofuran-2-Yl]Methoxy]-3,11-Diketo-10,13-Dimethyl-1,2,6,7,8,9,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Dihydrogen Phosphate
• Molecular Formula: C₃₀H₄₀N₃O₁₂P
• Molecular Weight: 665.63
• CAS Registry Number: 74517-56-9
• SMILES: [C@H]36[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)C(=O)C[C@@]3([C@](OC[C@H]5O[C@@H](N4C(=O)N=C(N)C=C4)[C@@H](O)[C@@H]5O)(CC6)C(=O)CO[P](=O)(O)O)C
• InChI: 1S/C30H40N3O12P/c1-28-8-5-16(34)11-15(28)3-4-17-18-6-9-30(21(36)14-44-46(40,41)42,29(18,2)12-19(35)23(17)28)43-13-20-24(37)25(38)26(45-20)33-10-7-22(31)32-27(33)39/h7,10-11,17-18,20,23-26,37-38H,3-6,8-9,12-14H2,1-2H3,(H2,31,32,39)(H2,40,41,42)/t17-,18-,20+,23+,24+,25-,26+,28-,29-,30-/m0/s1
• InChIKey: DHSNAZUNWGTSHK-KCFRUSQFSA-N

Properties

• Density: 1.728g/cm³ (Cal.)
• Boiling point: 915.751°C at 760 mmHg (Cal.)
• Flash point: 507.628°C (Cal.)