ChemSpider 2D Image | (2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl 2-acetamido-2-deoxy-4-O-sulfo-beta-D-glucopyranoside | C16H30N3O14S2

(2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl 2-acetamido-2-deoxy-4-O-sulfo-β-D-glucopyranoside

  • Molecular FormulaC16H30N3O14S2
  • Average mass552.551 Da
  • Monoisotopic mass552.116394 Da
  • ChemSpider ID4450095

  • Charge - Charge

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl 2-acetamido-2-deoxy-4-O-sulfo-β-D-glucopyranoside [ACD/IUPAC Name]
(2R,3S,5S)-2-(Hydroxymethyl)-5-[(2-sulfoethyl)carbamoyl]-3-pyrrolidiniumyl-2-acetamido-2-desoxy-4-O-sulfo-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-4-O-sulfo-β-D-glucopyranoside de (2R,3S,5S)-2-(hydroxyméthyl)-5-[(2-sulfoéthyl)carbamoyl]-3-pyrrolidiniumyle [French] [ACD/IUPAC Name]
β-D-Glucopyranoside, (2R,3S,5S)-2-(hydroxymethyl)-5-[[(2-sulfoethyl)amino]carbonyl]-3-pyrrolidiniumyl 2-(acetylamino)-2-deoxy-, 4-(hydrogen sulfate) [ACD/Index Name]
4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE
BEK
BLG
bulgecin a

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 17
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.78
ACD/LogD (pH 5.5): -9.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.81
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability:
Surface Tension:
Molar Volume:

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