ChemSpider 2D Image | (2S)-4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide | C22H43N5O13

(2S)-4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide

  • Molecular FormulaC22H43N5O13
  • Average mass585.602 Da
  • Monoisotopic mass585.285706 Da
  • ChemSpider ID4890949

  • defined stereocentres - 1 of 16 defined stereocentres

More details:

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

(2S)-4-Amino-N-{5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [ACD/IUPAC Name]
(2S)-4-Amino-N-{5-amino-2-[(3-amino-3-desoxyhexopyranosyl)oxy]-4-[(6-amino-6-desoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamid [German] [ACD/IUPAC Name]
(2S)-4-Amino-N-{5-amino-2-[(3-amino-3-désoxyhexopyranosyl)oxy]-4-[(6-amino-6-désoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl}-2-hydroxybutanamide [French] [ACD/IUPAC Name]
Butanamide, 4-amino-N-[5-amino-2-[(3-amino-3-deoxyhexopyranosyl)oxy]-4-[(6-amino-6-deoxyhexopyranosyl)oxy]-3-hydroxycyclohexyl]-2-hydroxy-, (2S)- [ACD/Index Name]
(S)-4-Amino-N-[5-amino-2-(4-amino-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-4-(6-aminomethyl-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide
37517-28-5 [RN]
4-Amino-N-[5-amino-2-(4-amino-3,5-dihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-4-(6-aminomethyl-3,4,5-trihydroxy-tetrahydro-pyran-2-yloxy)-3-hydroxy-cyclohexyl]-2-hydroxy-butyramide

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

Prestwick_716 [DBID]
Prestwick0_000395 [DBID]
Prestwick1_000395 [DBID]
SPBio_002530 [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 981.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.2±6.0 kJ/mol
Flash Point: 547.6±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 134.9±0.4 cm3
#H bond acceptors: 18
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.34
ACD/LogD (pH 5.5): -10.57
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 332 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 103.3±5.0 dyne/cm
Molar Volume: 363.9±5.0 cm3

Click to predict properties on the Chemicalize site


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