ChemSpider 2D Image | (2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{[(~13~C)carboxy[(~15~N)imino](~13~C)methyl]amino}-2,3,4,6-tetradeoxy-alpha-D-arabino-hexopyranoside | C1213C2H25N215NO9

(2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{[(13C)carboxy[(15N)imino](13C)methyl]amino}-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside

  • Molecular FormulaC1213C2H25N215NO9
  • Average mass382.342 Da
  • Monoisotopic mass382.162811 Da
  • ChemSpider ID107447793

  • defined stereocentres - 8 of 10 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl 2-amino-4-{[(13C)carboxy[(15N)imino](13C)methyl]amino}-2,3,4,6-tetradeoxy-α-D-arabino-hexopyranoside [ACD/IUPAC Name]
(2R,3S,5S,6S)-2,3,4,5,6-Pentahydroxycyclohexyl-2-amino-4-{[(13C)carboxy[(15N)imino](13C)methyl]amino}-2,3,4,6-tetradesoxy-α-D-arabino-hexopyranosid [German] [ACD/IUPAC Name]
2-Amino-4-{[(13C)carboxy[(15N)imino](13C)méthyl]amino}-2,3,4,6-tétradésoxy-α-D-arabino-hexopyranoside de (2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-arabino-Hexopyranoside, (2R,3S,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-4-[(carboxy-13Cimino-15N-methyl-13C)amino]-2,3,4,6-tetradeoxy- [ACD/Index Name]

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.738
Molar Refractivity: 77.4±0.5 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 88.6±7.0 dyne/cm
Molar Volume: 192.3±7.0 cm3

Click to predict properties on the Chemicalize site


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