ChemSpider 2D Image | 4-{[(5-Amino-1H-tetrazol-1-yl)acetyl]amino}-1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-erythro-pentitol | C14H21N7O4

4-{[(5-Amino-1H-tetrazol-1-yl)acetyl]amino}-1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-erythro-pentitol

  • Molecular FormulaC14H21N7O4
  • Average mass351.361 Da
  • Monoisotopic mass351.165497 Da
  • ChemSpider ID35044143

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

4-{[(5-Amino-1H-tetrazol-1-yl)acetyl]amino}-1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-erythro-pentitol [ACD/IUPAC Name]
4-{[(5-Amino-1H-tetrazol-1-yl)acetyl]amino}-1,5-anhydro-2,4-didesoxy-3-O-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-D-erythro-pentitol [German] [ACD/IUPAC Name]
4-{[2-(5-Amino-1H-tétrazol-1-yl)acétyl]amino}-1,5-anhydro-2,4-didésoxy-3-O-[(3,5-diméthyl-1,2-oxazol-4-yl)méthyl]-D-érythro-pentitol [French] [ACD/IUPAC Name]
D-erythro-Pentitol, 4-[[2-(5-amino-1H-tetrazol-1-yl)acetyl]amino]-1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethyl-4-isoxazolyl)methyl]- [ACD/Index Name]
4-{[(5-amino-1H-tetrazol-1-yl)acetyl]amino}-1,5-anhydro-2,4-dideoxy-3-O-[(3,5-dimethylisoxazol-4-yl)methyl]-D-erythro-pentitol

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.708
Molar Refractivity: 85.2±0.5 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -1.68
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.02
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.02
Polar Surface Area: 143 Å2
Polarizability: 33.8±0.5 10-24cm3
Surface Tension: 64.2±7.0 dyne/cm
Molar Volume: 218.6±7.0 cm3

Click to predict properties on the Chemicalize site


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