ChemSpider 2D Image | 1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)amino]-D-erythro-pentitol | C15H19NO8S

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)amino]-D-erythro-pentitol

  • Molecular FormulaC15H19NO8S
  • Average mass373.378 Da
  • Monoisotopic mass373.083130 Da
  • ChemSpider ID35040685

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)amino]-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxymethyl)-2,4-didesoxy-4-[(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)amino]-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxyméthyl)-2,4-didésoxy-4-[(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)amino]-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[[(2,3-dihydro-1,4-benzodioxin-5-yl)sulfonyl]amino]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 627.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 333.1±34.3 °C
Index of Refraction: 1.609
Molar Refractivity: 85.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.24
ACD/LogD (pH 5.5): -1.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.11
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 68.5±5.0 dyne/cm
Molar Volume: 246.5±5.0 cm3

Click to predict properties on the Chemicalize site


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