ChemSpider 2D Image | 4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide | C22H43N5O12

4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

  • Molecular FormulaC22H43N5O12
  • Average mass569.603 Da
  • Monoisotopic mass569.290833 Da
  • ChemSpider ID2312162

More details:

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

4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
4-Amino-N-{5-amino-2-[(3-amino-3-desoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-didesoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
4-Amino-N-{5-amino-2-[(3-amino-3-désoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-didésoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(2-amino-2,3-dideoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy- [ACD/Index Name]
4-AMINO-N-[5-AMINO-2-[4-AMINO-3,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-4-[3-AMINO-5-HYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY-3-HYDROXYCYCLOHEXYL]-2-HYDROXYBUTANAMIDE
65566-78-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 958.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 158.3±6.0 kJ/mol
Flash Point: 533.7±34.3 °C
Index of Refraction: 1.649
Molar Refractivity: 133.4±0.4 cm3
#H bond acceptors: 17
#H bond donors: 16
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.92
ACD/LogD (pH 5.5): -10.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 312 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 95.7±5.0 dyne/cm
Molar Volume: 366.1±5.0 cm3

Click to predict properties on the Chemicalize site


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