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ChemSpider 2D Image | (21E,23E,25E,27E,31E,33E)-20-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic aci
d | C47H75NO17

(21E,23E,25E,27E,31E,33E)-20-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic aci d

  • Molecular FormulaC47H75NO17
  • Average mass926.095 Da
  • Monoisotopic mass925.503479 Da
  • ChemSpider ID10128183
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 18 defined stereocentres


More details:





Date of deprecation: 15:37, Mar 21, 2017
Reason for deprecation: Deprecate record: 14 undefined stereocentres

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

Common reasons for deprecation are:
  • 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

(21E,23E,25E,27E,31E,33E)-20-[(3-Amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic aci d [ACD/IUPAC Name]
(21E,23E,25E,27E,31E,33E)-20-[(3-Amino-3,6-didesoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaen-17-carbonsäure [German] [ACD/IUPAC Name]
Acide (21E,23E,25E,27E,31E,33E)-20-[(3-amino-3,6-didésoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-triméthyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaène-17-carboxy lique [French] [ACD/IUPAC Name]
Oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid, 20-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-, (21E,23E,25E,27E,31E ,33E)- [ACD/Index Name]
(21E,23E,25E,27E,31E,33E)-20-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic aci
(21E,23E,25E,27E,31E,33E)-20-[(3-amino-3,6-dideoxy-D-mannopyranosyl)oxy]-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxooxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid
(21E,23E,25E,27E,31E,33E)-20-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-1-oxacyclooctatriaconta-21,23,25,27,31,33-hexae
(21E,23E,25E,27E,31E,33E)-20-{[(3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-4,6,8,11,12,16,18,36-octahydroxy-35,37,38-trimethyl-2,14-dioxo-1-oxacyclooctatriaconta-21,23,25,27,31,33-hexaene-17-carboxylic acid
Adiclair
Adiclair; Afunginal; Biofanal; Candacide; Candermil; Candex; Candidias; Candistat; Candistin; Canstat; Cazetin; Diaper NZ; Dipni; Enystin; Fukangning; Fungatin; Fungicidin Leciva; Fungistin; Fungostatin; Funistatin; Gynostatin; Kandistatin; Kenalon; Lederlind; Ledernyst; Lystin; Mycostatin; Nilstat; Nyaderm; Nystan
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

C06572 [DBID]
D00202 [DBID]
NSC 620336 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 1132.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 188.5±6.0 kJ/mol
Flash Point: 638.5±34.3 °C
Index of Refraction: 1.598
Molar Refractivity: 240.7±0.4 cm3
#H bond acceptors: 18
#H bond donors: 13
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 3
ACD/LogP: 0.57
ACD/LogD (pH 5.5): -2.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.80
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 327 Å2
Polarizability: 95.4±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 705.3±5.0 cm3

Click to predict properties on the Chemicalize site