ChemSpider 2D Image | 1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-{[(4-methyl-1,4-diazepan-1-yl)acetyl]amino}-D-erythro-pentitol | C15H27N3O5

1,5-Anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-{[(4-methyl-1,4-diazepan-1-yl)acetyl]amino}-D-erythro-pentitol

  • Molecular FormulaC15H27N3O5
  • Average mass329.392 Da
  • Monoisotopic mass329.195068 Da
  • ChemSpider ID35086684

  • 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-{[(4-methyl-1,4-diazepan-1-yl)acetyl]amino}-D-erythro-pentitol [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxymethyl)-2,4-didesoxy-4-{[(4-methyl-1,4-diazepan-1-yl)acetyl]amino}-D-erythro-pentitol [German] [ACD/IUPAC Name]
1,5-Anhydro-3-O-(carboxyméthyl)-2,4-didésoxy-4-{[2-(4-méthyl-1,4-diazépan-1-yl)acétyl]amino}-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 1,5-anhydro-3-O-(carboxymethyl)-2,4-dideoxy-4-[[2-(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)acetyl]amino]- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 95.0±6.0 kJ/mol
Flash Point: 305.3±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 84.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.10
ACD/LogD (pH 5.5): -3.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.32
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 91 Å2
Polarizability: 33.3±0.5 10-24cm3
Surface Tension: 54.4±5.0 dyne/cm
Molar Volume: 263.9±5.0 cm3

Click to predict properties on the Chemicalize site


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