ChemSpider 2D Image | Methyl (1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,25Z,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-beta-D-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]n onatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate | C48H75NO17

Methyl (1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,25Z,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]n onatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate

  • Molecular FormulaC48H75NO17
  • Average mass938.106 Da
  • Monoisotopic mass937.503479 Da
  • ChemSpider ID4975948

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 19 of 19 defined stereocentres

More details:

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

(1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,25Z,33R,35S,36R,37S)-33-[(3-Amino-3,6-didésoxy-β-D-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-triméthyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatri aconta-19,21,23,25,27,29,31-heptaène-36-carboxylate de méthyle [French] [ACD/IUPAC Name]
14,39-Dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid, 33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-, methyl ester, (1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,25Z,33R,35S,36R,37S)- [ACD/Index Name]
Methyl (1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,25Z,33R,35S,36R,37S)-33-[(3-amino-3,6-dideoxy-β-D-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]n onatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate [ACD/IUPAC Name]
Methyl-(1R,3S,5S,8S,9S,11R,15S,16S,17R,18S,25Z,33R,35S,36R,37S)-33-[(3-amino-3,6-didesoxy-β-D-mannopyranosyl)oxy]-1,3,5,8,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1] nonatriaconta-19,21,23,25,27,29,31-heptaen-36-carboxylat [German] [ACD/IUPAC Name]
36148-89-7 [RN]
Am [Formula]
AMB
AME
Amphotericin B monomethyl ester
Amphotericin B, methyl ester
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AIDS000095 [DBID]
AIDS-000095 [DBID]
AIDS192985 [DBID]
AIDS-192985 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 1102.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 183.2±6.0 kJ/mol
Flash Point: 620.6±34.3 °C
Index of Refraction: 1.602
Molar Refractivity: 245.1±0.4 cm3
#H bond acceptors: 18
#H bond donors: 12
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 1.63
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.03
Polar Surface Area: 309 Å2
Polarizability: 97.2±0.5 10-24cm3
Surface Tension: 67.8±5.0 dyne/cm
Molar Volume: 714.1±5.0 cm3

Click to predict properties on the Chemicalize site


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