ChemSpider 2D Image | (1R,2S,3R,4R,5S,6R)-2,4-Dicarbamimidamido-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylamino)-alpha-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-alpha-L-lyxofuranoside | C21H42N7O15P

(1R,2S,3R,4R,5S,6R)-2,4-Dicarbamimidamido-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-α-L-lyxofuranoside

  • Molecular FormulaC21H42N7O15P
  • Average mass663.570 Da
  • Monoisotopic mass663.247620 Da
  • ChemSpider ID10128132

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1R,2S,3R,4R,5S,6R)-2,4-Dicarbamimidamido-3,5,6-trihydroxycyclohexyl 5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-α-L-lyxofuranoside [ACD/IUPAC Name]
(1R,2S,3R,4R,5S,6R)-2,4-Dicarbamimidamido-3,5,6-trihydroxycyclohexyl-5-desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-α-L-lyxofuranosid [German] [ACD/IUPAC Name]
5-Désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-[(phosphonooxy)méthyl]-α-L-lyxofuranoside de (1R,2S,3R,4R,5S,6R)-2,4-dicarbamimidamido-3,5,6-trihydroxycyclohexyle [French] [ACD/IUPAC Name]
Guanidine, N,N'''-[(1R,2R,3S,4R,5R,6S)-4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-[(phosphonooxy)methyl]-α-L-lyxofuranosyl]oxy]-2,5,6-trihydroxy-1,3-cyclohexanediyl]bis- [ACD/Index Name]
Dihydrostreptomycin 3'α-phosphate

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

C04382 [DBID]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 966.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 159.6±6.0 kJ/mol
Flash Point: 538.3±37.1 °C
Index of Refraction: 1.772
Molar Refractivity: 131.0±0.5 cm3
#H bond acceptors: 22
#H bond donors: 18
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -3.77
ACD/LogD (pH 5.5): -8.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 391 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 107.5±7.0 dyne/cm
Molar Volume: 314.7±7.0 cm3

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