ChemSpider 2D Image | (1R,2R,3R,4S,6S)-3,6-Diamino-2-{[(3xi)-3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-erythro-pentofuranosyl]oxy}-4-hydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside | C23H45N5O14

(1R,2R,3R,4S,6S)-3,6-Diamino-2-{[(3ξ)-3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-erythro-pentofuranosyl]oxy}-4-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside

  • Molecular FormulaC23H45N5O14
  • Average mass615.628 Da
  • Monoisotopic mass615.296326 Da
  • ChemSpider ID4642592

  • defined stereocentres - 18 of 19 defined stereocentres

More details:

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

(1R,2R,3R,4S,6S)-3,6-Diamino-2-{[(3ξ)-3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-erythro-pentofuranosyl]oxy}-4-hydroxycyclohexyl 2-amino-2-deoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2R,3R,4S,6S)-3,6-Diamino-2-{[(3ξ)-3-O-(2,6-diamino-2,6-didesoxy-β-L-idopyranosyl)-β-D-erythro-pentofuranosyl]oxy}-4-hydroxycyclohexyl-2-amino-2-desoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Amino-2-désoxy-α-D-glucopyranoside de (1R,2R,3R,4S,6S)-3,6-diamino-2-{[(3ξ)-3-O-(2,6-diamino-2,6-didésoxy-β-L-idopyranosyl)-β-D-érythro-pentofuranosyl]oxy}-4-hydroxycyclohexyle [French] [ACD/IUPAC Name]
α-D-Glucopyranoside, (1R,2R,3R,4S,6S)-3,6-diamino-2-[[(3ξ)-3-O-(2,6-diamino-2,6-dideoxy-β-L-idopyranosyl)-β-D-erythro-pentofuranosyl]oxy]-4-hydroxycyclohexyl 2-amino-2-deoxy- [ACD/Index Name]

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

DivK1c_000615 [DBID]
KBio1_000615 [DBID]
NINDS_000615 [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: 939.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 155.1±6.0 kJ/mol
Flash Point: 522.2±34.3 °C
Index of Refraction: 1.676
Molar Refractivity: 140.8±0.4 cm3
#H bond acceptors: 19
#H bond donors: 18
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -3.15
ACD/LogD (pH 5.5): -11.48
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 347 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 106.4±5.0 dyne/cm
Molar Volume: 374.1±5.0 cm3

Click to predict properties on the Chemicalize site


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