ChemSpider 2D Image | 1703-18B | C23H29NO12

1703-18B

  • Molecular FormulaC23H29NO12
  • Average mass511.476 Da
  • Monoisotopic mass511.168976 Da
  • ChemSpider ID16735855

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
The Merck Index Online

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

(2E)-3-{4-[(6-Deoxy-β-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide [ACD/IUPAC Name]
(2E)-3-{4-[(6-deoxy-β-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]prop-2-enamide
(2E)-3-{4-[(6-Desoxy-β-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl}-2-methyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamid [German] [ACD/IUPAC Name]
(2E)-3-{4-[(6-Désoxy-β-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphényl}-2-méthyl-N-[(3aR,4S,5S,6R,7S,7aS)-4,6,7-trihydroxyhexahydro-1,3-benzodioxol-5-yl]acrylamide [French] [ACD/IUPAC Name]
(E)-5-Deoxy-5-[[3-[4-[(6-deoxy-b-D-arabino-hexofuranos-5-ulos-1-yl)oxy]-3-hydroxyphenyl]-2-methyl-1-oxo-2-propenyl]amino]-1,2-O-methylene-D-neo-inositol
1703-18B
2-Propenamide, 3-[4-[(6-deoxy-β-D-arabino-hexofuranosyl-5-ulose)oxy]-3-hydroxyphenyl]-N-[(3aR,4S,5S,6R,7S,7aS)-hexahydro-4,6,7-trihydroxy-1,3-benzodioxol-5-yl]-2-methyl-, (2E)- [ACD/Index Name]
6379-56-2 [RN]
Homomycin
hygromycin A

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

St 4331 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 925.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.0±3.0 kJ/mol
Flash Point: 513.6±34.3 °C
Index of Refraction: 1.668
Molar Refractivity: 118.9±0.4 cm3
#H bond acceptors: 13
#H bond donors: 7
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: -0.27
ACD/LogD (pH 5.5): -1.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.14
ACD/LogD (pH 7.4): -1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.90
Polar Surface Area: 204 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 88.4±5.0 dyne/cm
Molar Volume: 319.0±5.0 cm3

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