ChemSpider 2D Image | 4-Amino-1-(5-O-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1H)-pyrimidinone | C30H42N3O12P

4-Amino-1-(5-O-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1H)-pyrimidinone

  • Molecular FormulaC30H42N3O12P
  • Average mass667.641 Da
  • Monoisotopic mass667.250610 Da
  • ChemSpider ID112442

More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy]hydroxyphosphinyl]pentofuranosyl]- [ACD/Index Name]
4-Amino-1-(5-O-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-(5-O-{[(11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-(5-O-{[(11,17-dihydroxy-3,20-dioxoprégn-4-én-21-yl)oxy](hydroxy)phosphoryl}pentofuranosyl)-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
74517-55-8 [RN]
Cortisol-4-ara-C
Cortisol-p-ara-C

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

NSC 321808 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.7±0.1 g/cm3
Boiling Point: 891.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.2±6.0 kJ/mol
Flash Point: 492.9±37.1 °C
Index of Refraction: 1.734
Molar Refractivity: 154.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.60
ACD/LogD (pH 5.5): -4.99
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.16
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 249 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 385.3±7.0 cm3

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