ChemSpider 2D Image | 1,3-Thiazol-5-ylmethyl [(2S,3S,5S)-5-acetamido-3-hydroxy-1,6-diphenyl-2-hexanyl]carbamate | C25H29N3O4S

1,3-Thiazol-5-ylmethyl [(2S,3S,5S)-5-acetamido-3-hydroxy-1,6-diphenyl-2-hexanyl]carbamate

  • Molecular FormulaC25H29N3O4S
  • Average mass467.581 Da
  • Monoisotopic mass467.187866 Da
  • ChemSpider ID31047269

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(2S,3S,5S)-5-Acétamido-3-hydroxy-1,6-diphényl-2-hexanyl]carbamate de 1,3-thiazol-5-ylméthyle [French] [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl [(2S,3S,5S)-5-acetamido-3-hydroxy-1,6-diphenyl-2-hexanyl]carbamate [ACD/IUPAC Name]
1,3-Thiazol-5-ylmethyl-[(2S,3S,5S)-5-acetamido-3-hydroxy-1,6-diphenyl-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
1010808-43-1 [RN]
Carbamic acid, N-[(1S,2S,4S)-4-(acetylamino)-2-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-, 5-thiazolylmethyl ester [ACD/Index Name]
THIAZOL-5-YLMETHYL ((1S,2S,4S)-4-(ACETYLAMINO)-1-BENZYL-2-HYDROXY-5-PHENYLPENTYL)CARBAMATE
1,3-Thiazol-5-ylmethyl N-[(1S,2S,4S)-4-(acetylamino)-1-benzyl-2-hydroxy-5-phenylpentyl]carbamate
155213-67-5 [RN]
Ritonavir [JAN] [USAN] [Wiki]
Thiazol-5-ylmethyl ((2S,3S,5S)-5-acetamido-3-hydroxy-1,6-diphenylhexan-2-yl)carbamate

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

8KV2H7R99M [DBID]
UNII:8KV2H7R99M [DBID]
UNII-8KV2H7R99M [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 740.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.3±3.0 kJ/mol
Flash Point: 401.4±32.9 °C
Index of Refraction: 1.602
Molar Refractivity: 128.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.16
ACD/KOC (pH 5.5): 1616.08
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.19
ACD/KOC (pH 7.4): 1616.31
Polar Surface Area: 129 Å2
Polarizability: 51.0±0.5 10-24cm3
Surface Tension: 54.2±3.0 dyne/cm
Molar Volume: 375.3±3.0 cm3

Click to predict properties on the Chemicalize site


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