ChemSpider 2D Image | O~15~-{[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl}retinoic acid | C30H39N5O5

O15-{[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl}retinoic acid

  • Molecular FormulaC30H39N5O5
  • Average mass549.661 Da
  • Monoisotopic mass549.295105 Da
  • ChemSpider ID4953491

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

O15-{[(2S,3S,5R)-3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl}retinoic acid [ACD/IUPAC Name]
O15-{[(2S,3S,5R)-3-Azido-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthyl}rétinoïque acide [French] [ACD/IUPAC Name]
Retinoic acid, O15-[[(2S,3S,5R)-3-azido-5-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methyl]- [ACD/Index Name]
[(2S,3S,5R)-3-AZIDO-5-(5-METHYL-2,4-DIOXO-3H-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL (2E,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENOATE
125780-97-4 [RN]
3'-Azido-3'-deoxythymidine-retinoic acid ester
AZT Prodrug
Retinoic acid analog
Retinoyl-AZT

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

AIDS000743 [DBID]
AIDS-000743 [DBID]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 6.98
ACD/LogD (pH 5.5): 6.20
ACD/BCF (pH 5.5): 30317.19
ACD/KOC (pH 5.5): 56178.04
ACD/LogD (pH 7.4): 6.20
ACD/BCF (pH 7.4): 30109.13
ACD/KOC (pH 7.4): 55792.50
Polar Surface Area: 97 Å2
Polarizability:
Surface Tension:
Molar Volume:

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