ChemSpider 2D Image | 4-[(4-Aminobenzoyl)amino]-1-{2,6-dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-beta-D-arabino-hexopyranosyl}-2(1H)-pyrimidinone | C25H35N5O8

4-[(4-Aminobenzoyl)amino]-1-{2,6-dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-β-D-arabino-hexopyranosyl}-2(1H)-pyrimidinone

  • Molecular FormulaC25H35N5O8
  • Average mass533.574 Da
  • Monoisotopic mass533.248535 Da
  • ChemSpider ID113110

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2(1H)-Pyrimidinone, 4-[(4-aminobenzoyl)amino]-1-[2,6-dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-β-D-arabino-hexopyranosyl]- [ACD/Index Name]
4-[(4-Aminobenzoyl)amino]-1-{2,6-dideoxy-4-O-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-β-D-arabino-hexopyranosyl}-2(1H)-pyrimidinone [ACD/IUPAC Name]
4-[(4-Aminobenzoyl)amino]-1-{2,6-didesoxy-4-O-[(1S,2R,3S,4R,5S)-4-(dimethylamino)-2,3,5-trihydroxycyclohexyl]-β-D-arabino-hexopyranosyl}-2(1H)-pyrimidinon [German] [ACD/IUPAC Name]
4-[(4-Aminobenzoyl)amino]-1-{2,6-didésoxy-4-O-[(1S,2R,3S,4R,5S)-4-(diméthylamino)-2,3,5-trihydroxycyclohexyl]-β-D-arabino-hexopyranosyl}-2(1H)-pyrimidinone [French] [ACD/IUPAC Name]
100108-92-7 [RN]
Oxyplicacetin

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.690
Molar Refractivity: 130.8±0.5 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.70
ACD/LogD (pH 5.5): -4.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.28
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 190 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 63.3±7.0 dyne/cm
Molar Volume: 342.2±7.0 cm3

Click to predict properties on the Chemicalize site


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