ChemSpider 2D Image | (1R)-1-Allyl-1,5-anhydro-2,3-dideoxy-4-O-{[(2S,3R,4E)-7-methoxy-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-7-oxo-4-hepten-1-ylidene]amino}-D-erythro-hex-2-enitol | C25H34N2O7S

(1R)-1-Allyl-1,5-anhydro-2,3-dideoxy-4-O-{[(2S,3R,4E)-7-methoxy-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-7-oxo-4-hepten-1-ylidene]amino}-D-erythro-hex-2-enitol

  • Molecular FormulaC25H34N2O7S
  • Average mass506.612 Da
  • Monoisotopic mass506.208679 Da
  • ChemSpider ID7828695

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R)-1-Allyl-1,5-anhydro-2,3-dideoxy-4-O-{[(2S,3R,4E)-7-methoxy-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-7-oxo-4-hepten-1-ylidene]amino}-D-erythro-hex-2-enitol [ACD/IUPAC Name]
(1R)-1-Allyl-1,5-anhydro-2,3-didesoxy-4-O-{[(2S,3R,4E)-7-methoxy-3-methyl-2-{[(4-methylphenyl)sulfonyl]amino}-7-oxo-4-hepten-1-yliden]amino}-D-erythro-hex-2-enitol [German] [ACD/IUPAC Name]
(1R)-1-Allyl-1,5-anhydro-2,3-didésoxy-4-O-{[(2S,3R,4E)-7-méthoxy-3-méthyl-2-{[(4-méthylphényl)sulfonyl]amino}-7-oxo-4-heptén-1-ylidène]amino}-D-érythro-hex-2-énitol [French] [ACD/IUPAC Name]
D-erythro-Hex-2-enitol, 1,5-anhydro-2,3-dideoxy-4-O-[[(2S,3R,4E)-7-methoxy-3-methyl-2-[[(4-methylphenyl)sulfonyl]amino]-7-oxo-4-hepten-1-ylidene]amino]-1-C-2-propen-1-yl-, (1R)- [ACD/Index Name]

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

MLS000438689 [DBID]
SMR000113092 [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: 635.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 337.8±34.3 °C
Index of Refraction: 1.553
Molar Refractivity: 133.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 3.02
ACD/BCF (pH 5.5): 116.32
ACD/KOC (pH 5.5): 1047.60
ACD/LogD (pH 7.4): 3.02
ACD/BCF (pH 7.4): 114.96
ACD/KOC (pH 7.4): 1035.28
Polar Surface Area: 132 Å2
Polarizability: 53.0±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 417.8±7.0 cm3

Click to predict properties on the Chemicalize site


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