ChemSpider 2D Image | (7S,9Z,11R,12S,13R,14S,15S,16S,17R,19Z,21Z)-26-Formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(29), 2,4,9,19,21,25,27-octaen-13-yl acetate | C38H47NO13

(7S,9Z,11R,12S,13R,14S,15S,16S,17R,19Z,21Z)-26-Formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29), 2,4,9,19,21,25,27-octaen-13-yl acetate

  • Molecular FormulaC38H47NO13
  • Average mass725.779 Da
  • Monoisotopic mass725.304749 Da
  • ChemSpider ID68005571

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(7S,9Z,11R,12S,13R,14S,15S,16S,17R,19Z,21Z)-26-Formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),
 2,4,9,19,21,25,27-octaen-13-yl acetate [ACD/IUPAC Name]
(7S,9Z,11R,12S,13R,14S,15S,16S,17R,19Z,21Z)-26-Formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),
 2,4,9,19,21,25,27-octaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-8-carboxaldehyde, 21-(acetyloxy)-1,2-dihydro-5,6,9,17,19-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,11-dioxo-, (2S,12Z,14Z,17R ,18S,19S,20S,21R,22S,23R,24Z)- [ACD/Index Name]
Acétate de (7S,9Z,11R,12S,13R,14S,15S,16S,17R,19Z,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23-dioxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triac onta-1(29),2,4,9,19,21,25,27-octaén-13-yle [French] [ACD/IUPAC Name]
13292-22-3 [RN]
3-Formyl Rifamycin SV
3-Formylrifamycin SV

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

Density: 1.4±0.1 g/cm3
Boiling Point: 855.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.3±3.0 kJ/mol
Flash Point: 471.1±34.3 °C
Index of Refraction: 1.633
Molar Refractivity: 188.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 44.69
ACD/KOC (pH 5.5): 294.67
ACD/LogD (pH 7.4): 1.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.66
Polar Surface Area: 218 Å2
Polarizability: 74.6±0.5 10-24cm3
Surface Tension: 68.9±5.0 dyne/cm
Molar Volume: 526.6±5.0 cm3

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