ChemSpider 2D Image | Papulacandin D | C31H42O10

Papulacandin D

  • Molecular FormulaC31H42O10
  • Average mass574.659 Da
  • Monoisotopic mass574.277771 Da
  • ChemSpider ID8568775

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,3'R,4'S,5'R,6'R)-3',5,5',7-Tetrahydroxy-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoate [ACD/IUPAC Name]
(1S,3'R,4'S,5'R,6'R)-3',5,5',7-Tetrahydroxy-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl-(2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethyl-2,4,8,10-hexadecatetraenoat [German] [ACD/IUPAC Name]
(2E,4E,7S,8E,10E,14S)-7-Hydroxy-8,14-diméthyl-2,4,8,10-hexadécatétraénoate de (1S,3'R,4'S,5'R,6'R)-3',5,5',7-tétrahydroxy-6'-(hydroxyméthyl)-3',4',5',6'-tétrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4' -yle [French] [ACD/IUPAC Name]
2,4,8,10-Hexadecatetraenoic acid, 7-hydroxy-8,14-dimethyl-, (1S,3'R,4'S,5'R,6'R)-3',4',5',6'-tetrahydro-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)spiro[isobenzofuran-1(3H),2'-[2H]pyran]-4'-yl ester, (2 E,4E,7S,8E,10E,14S)- [ACD/Index Name]
61036-49-5 [RN]
Papulacandin D
(+)-papulacandin D
(+)-papulacandin-D
(1S,3'R,4'S,5'R,6'R)-3',5,5',7-tetrahydroxy-6'-(hydroxymethyl)-3',4',5',6'-tetrahydro-3H-spiro[2-benzofuran-1,2'-pyran]-4'-yl (2E,4E,7S,8E,10E,14S)-7-hydroxy-8,14-dimethylhexadeca-2,4,8,10-tetraenoate
papulacandin-D
  • Miscellaneous

    • Chemical Class:

      A papulacandin that is papulacandin A in which the 6-<element>O</element>-acylgalactosyl group is replaced by a hydrogen. It is a carbohydrate-containing antibiotic from the deuteromycetous fungus <it al>Papularia sphaerosperma</ital> which shows potent antifungal activity against <ital>Candida albicans</ital>. ChEBI CHEBI:72630
      A papulacandin that is papulacandin A in which the 6-O-acylgalactosyl group is replaced by a hydrogen. It is a carbohydrate-containing antibiotic from the deuteromycetous fungus Papularia sphaerosperm a which shows potent antifungal activity against Candida albicans. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:72630, CHEBI:72630

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

Density: 1.3±0.1 g/cm3
Boiling Point: 825.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 125.8±3.0 kJ/mol
Flash Point: 264.3±27.8 °C
Index of Refraction: 1.620
Molar Refractivity: 152.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 6.35
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1060.68
ACD/KOC (pH 5.5): 5096.76
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1047.30
ACD/KOC (pH 7.4): 5032.45
Polar Surface Area: 166 Å2
Polarizability: 60.4±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 433.7±5.0 cm3

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