ChemSpider 2D Image | 4-Amino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]-beta-D-arabinofuranosyl}-2(1H)-pyrimidinone | C30H40N3O12P

4-Amino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC30H40N3O12P
  • Average mass665.625 Da
  • Monoisotopic mass665.234985 Da
  • ChemSpider ID112503

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-amino-1-[5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]-β-D-arabinofuranosyl]- [ACD/Index Name]
4-Amino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-Amino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)pregn-4-en-17-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-Amino-1-{5-O-[3,11,20-trioxo-21-(phosphonooxy)prégn-4-én-17-yl]-β-D-arabinofuranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
74517-56-9 [RN]
Cortisone-4-ara-C
Cortisone-p-ara-C
Pregn-4-ene-3,11,20-trione, 17-hydroxy-21-(phosphonooxy)-, 5'-ester with 4-amino-1-β-D-arabinofuranosyl-2(1H)-pyrimidinone

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 915.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 151.1±6.0 kJ/mol
Flash Point: 507.6±37.1 °C
Index of Refraction: 1.734
Molar Refractivity: 154.4±0.5 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -0.63
ACD/LogD (pH 5.5): -5.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 61.2±0.5 10-24cm3
Surface Tension: 80.8±7.0 dyne/cm
Molar Volume: 385.3±7.0 cm3

Click to predict properties on the Chemicalize site


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