ChemSpider 2D Image | 3'-Deoxydihydrostreptomycin 3'alpha,6-bisphosphate | C21H43N7O17P2

3'-Deoxydihydrostreptomycin 3'α,6-bisphosphate

  • Molecular FormulaC21H43N7O17P2
  • Average mass727.550 Da
  • Monoisotopic mass727.219055 Da
  • ChemSpider ID10128145

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2S,3S,4R,5S,6S)-2,4-Dicarbamimidamido-3,6-dihydroxy-5-(phosphonooxy)cyclohexyl 3,5-dideoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-[(phosphonooxy)methyl]-α-L-arabinofuranoside [ACD/IUPAC Name]
(1R,2S,3S,4R,5S,6S)-2,4-Dicarbamimidamido-3,6-dihydroxy-5-(phosphonooxy)cyclohexyl-3,5-didesoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-[(phosphonooxy)methyl]-α-L-arabinofuranosid [German] [ACD/IUPAC Name]
3,5-Didésoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-[(phosphonooxy)méthyl]-α-L-arabinofuranoside de (1R,2S,3S,4R,5S,6S)-2,4-dicarbamimidamido-3,6-dihydroxy-5-(phosphonooxy)cyclohe xyle [French] [ACD/IUPAC Name]
3'-Deoxydihydrostreptomycin 3'α,6-bisphosphate
Guanidine, N,N'''-[(1R,2S,3S,4R,5S,6S)-4-[[3,5-dideoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-[(phosphonooxy)methyl]-α-L-arabinofuranosyl]oxy]-2,5-dihydroxy-6-(phosphonooxy)-1,3-cy clohexanediyl]bis- [ACD/Index Name]
3'-deoxydihydrostreptomycin 3'α,6-bis(dihydrogen phosphate)

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

C04709 [DBID]

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

Density: 2.2±0.1 g/cm3
Boiling Point: 1025.8±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 169.7±6.0 kJ/mol
Flash Point: 574.2±37.1 °C
Index of Refraction: 1.778
Molar Refractivity: 139.6±0.5 cm3
#H bond acceptors: 24
#H bond donors: 18
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -5.67
ACD/LogD (pH 5.5): -9.42
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 427 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 116.7±7.0 dyne/cm
Molar Volume: 333.4±7.0 cm3

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