ChemSpider 2D Image | Dihydrostreptomycin 6-phosphate | C21H42N7O15P

Dihydrostreptomycin 6-phosphate

  • Molecular FormulaC21H42N7O15P
  • Average mass663.570 Da
  • Monoisotopic mass663.247620 Da
  • ChemSpider ID388553

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

(1S,2R,3S,4S,5R,6S)-2,4-Dicarbamimidamido-5-({5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl}oxy)-3,6-dihydroxycyclohexyl dihydrogen phosphate [ACD/IUPAC Name]
(1S,2R,3S,4S,5R,6S)-2,4-Dicarbamimidamido-5-({5-desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl}oxy)-3,6-dihydroxycyclohexyldihydrogenphosphat [German] [ACD/IUPAC Name]
Dihydrogénophosphate de (1S,2R,3S,4S,5R,6S)-2,4-dicarbamimidamido-5-({5-désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-(hydroxyméthyl)-α-L-lyxofuranosyl}oxy)-3,6-dihydroxycyclohe xyle [French] [ACD/IUPAC Name]
Dihydrostreptomycin 6-phosphate
Guanidine, N,N'''-[(1R,2S,3S,4R,5S,6S)-4-[[5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl]oxy]-2,5-dihydroxy-6-(phosphonooxy)-1,3-cyclohexanediy l]bis- [ACD/Index Name]
(1S,2R,3S,4S,5R,6S)-2,4-bis(carbamimidamido)-5-{5-deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyloxy}-3,6-dihydroxycyclohexyl dihydrogen phosphate
33014-54-9 [RN]
O-2-DEOXY-2-(METHYLAMINO)-A-L-GLUCOPYRANOSYL-(1-2)-O-5-DEOXY-3-C-(HYDROXYMETHYL)-A-L-LYXOFURANOSYL-(1-4)-N,N-BIS(AMINOIMINOMETHYL)-D-STREPTAMINE,6-(DIHYDROGEN PHOSPHONATE)
O-2-deoxy-2-(methylamino)-α-L-glucopyranosyl-(1-2)-O-5-deoxy-3-C-(hydroxymethyl)-α-L-lyxofuranosyl-(1-4)-N,N'-bis(aminoiminomethyl)-D-streptamine-6-(dihydrogen phosphate)

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

C01221 [DBID]
CHEBI:16505 [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: 986.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 162.9±6.0 kJ/mol
Flash Point: 550.2±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: -4.04
ACD/LogD (pH 5.5): -9.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.15
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

Click to predict properties on the Chemicalize site


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