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ChemSpider 2D Image | Dihydrostreptomycin | C21H41N7O12

Dihydrostreptomycin

  • Molecular FormulaC21H41N7O12
  • Average mass583.590 Da
  • Monoisotopic mass583.281311 Da
  • ChemSpider ID23089228

  • defined stereocentres - 14 of 15 defined stereocentres

More details:

Date of deprecation: 16:31, Aug 8, 2016
Reason for deprecation: Deprecate record: undefined stereocentre due to stereowedge that has the wrong direction.

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

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  • Chemically impossible structures (eg. incorrect valence atoms)
  • Lack of any linking data sources
  • Poor depiction of a structure that is already in ChemSpider

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

1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-lyxofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-xylofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine [ACD/IUPAC Name]
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-xylofuranosyl}oxy)-2,5,6-trihydroxycyclohexane-1,3-diyl]diguanidine
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-Desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-xylofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexandiyl]diguanidin [German] [ACD/IUPAC Name]
1,1'-[(1R,2R,3S,4R,5R,6S)-4-({5-Désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-(hydroxyméthyl)-α-L-xylofuranosyl}oxy)-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine [French] [ACD/IUPAC Name]
1,1'-[(1R,2R,3S,4R,5R,6S)-4-{[(2ξ)-5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-threo-pentofuranosyl]oxy}-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine [ACD/IUPAC Name]
1,1'-[(1R,2R,3S,4R,5R,6S)-4-{[(2ξ)-5-Desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-threo-pentofuranosyl]oxy}-2,5,6-trihydroxy-1,3-cyclohexandiyl]diguanidin [German] [ACD/IUPAC Name]
1,1'-[(1R,2R,3S,4R,5R,6S)-4-{[(2ξ)-5-Désoxy-2-O-[2-désoxy-2-(méthylamino)-α-L-glucopyranosyl]-3-C-(hydroxyméthyl)-α-L-thréo-pentofuranosyl]oxy}-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidin e [French] [ACD/IUPAC Name]
2,2'-[(1R,2R,3S,4R,5R,6S)-4-{[(2ξ)-5-Deoxy-2-O-[2-deoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-threo-pentofuranosyl]oxy}-2,5,6-trihydroxy-1,3-cyclohexanediyl]diguanidine [ACD/IUPAC Name]
2,2'-[(1R,2R,3S,4R,5R,6S)-4-{[(2ξ)-5-Desoxy-2-O-[2-desoxy-2-(methylamino)-α-L-glucopyranosyl]-3-C-(hydroxymethyl)-α-L-threo-pentofuranosyl]oxy}-2,5,6-trihydroxy-1,3-cyclohexandiyl]diguanidin [German] [ACD/IUPAC Name]
More...

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

Density: 2.0±0.1 g/cm3
Boiling Point: 879.5±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 145.2±6.0 kJ/mol
Flash Point: 485.7±37.1 °C
Index of Refraction: 1.762
Molar Refractivity: 121.0±0.5 cm3
#H bond acceptors: 19
#H bond donors: 17
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -3.38
ACD/LogD (pH 5.5): -9.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.92
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 335 Å2
Polarizability: 48.0±0.5 10-24cm3
Surface Tension: 92.7±7.0 dyne/cm
Molar Volume: 293.5±7.0 cm3

Click to predict properties on the Chemicalize site


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