ChemSpider 2D Image | 9X6F5H479X | C21H43N5O12

9X6F5H479X

  • Molecular FormulaC21H43N5O12
  • Average mass557.592 Da
  • Monoisotopic mass557.290833 Da
  • ChemSpider ID8048140

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2S,3S,4R,6S)-6-Amino-3-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(1,3-dihydroxy-2-propanyl)amino]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,6S)-6-Amino-3-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-4-[(1,3-dihydroxypropan-2-yl)amino]-2-hydroxycyclohexyl 2,6-diamino-2,6-dideoxy-α-D-glucopyranoside
(1R,2S,3S,4R,6S)-6-Amino-3-[(3-amino-3-desoxy-α-D-glucopyranosyl)oxy]-4-[(1,3-dihydroxy-2-propanyl)amino]-2-hydroxycyclohexyl-2,6-diamino-2,6-didesoxy-α-D-glucopyranosid [German] [ACD/IUPAC Name]
2,6-Diamino-2,6-didésoxy-α-D-glucopyranoside de (1R,2S,3S,4R,6S)-6-amino-3-[(3-amino-3-désoxy-α-D-glucopyranosyl)oxy]-4-[(1,3-dihydroxy-2-propanyl)amino]-2-hydroxycyclohexyle [French] [ACD/IUPAC Name]
66887-96-5 [RN]
9X6F5H479X
O-3-Amino-3-deoxy-a-D-glucopyranosyl(1®4)-O-[2,6-diamino-2,6-dideoxy-a-D-glucopyranosyl(1®6)]-2-deoxy-N3-[2-hydroxy-1-(hydroxymethyl)ethyl]-L-streptamine
O-3-Amino-3-deoxy-a-D-glucopyranosyl(1®6)-O-[2,6-diamino-2,6-dideoxy-a-D-glucopyranosyl(1®4)]-2-deoxy-N1-[2-hydroxy-1-(hydroxymethyl)ethyl]-D-streptamine
Propikacin
α-D-Glucopyranoside, (1R,2S,3S,4R,6S)-6-amino-3-[(3-amino-3-deoxy-α-D-glucopyranosyl)oxy]-2-hydroxy-4-[[2-hydroxy-1-(hydroxymethyl)ethyl]amino]cyclohexyl 2,6-diamino-2,6-dideoxy- [ACD/Index Name]
More...

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

4850 [DBID]
UK 31214 [DBID]
UK-31214 [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: 911.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 150.4±6.0 kJ/mol
Flash Point: 504.7±34.3 °C
Index of Refraction: 1.664
Molar Refractivity: 130.2±0.4 cm3
#H bond acceptors: 17
#H bond donors: 17
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -3.33
ACD/LogD (pH 5.5): -10.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 315 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 101.7±5.0 dyne/cm
Molar Volume: 351.1±5.0 cm3

Click to predict properties on the Chemicalize site


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