ChemSpider 2D Image | (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]triaconta-1(28),2,4,9 ,19,21,25-heptaen-13-yl acetate | C37H45NO12

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

  • Molecular FormulaC37H45NO12
  • Average mass695.753 Da
  • Monoisotopic mass695.294189 Da
  • ChemSpider ID24748281

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9 ,19,21,25-heptaen-13-yl acetate [ACD/IUPAC Name]
(7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-Trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9 ,19,21,25-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,6,9,11(2H)-tetrone, 21-(acetyloxy)-5,17,19-trihydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-, (2S,12Z,14Z,16S,17S,18R,19R,20R,21S,22R, 23S,24Z)- [ACD/Index Name]
Acétate de (7S,9Z,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-11-méthoxy-3,7,12,14,16,18,22-heptaméthyl-6,23,27,29-tétraoxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7.05,28]triaconta- 
1(28),2,4,9,19,21,25-heptaén-13-yle [French] [ACD/IUPAC Name]
(7S,11S,12R,13S,14R,15R,16R,17S,18S,19Z,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1,3,5(28),9,19,21,25-heptaen-13-yl acetate
1,4-Dideoxy-1,4-dihydro-1,4-dioxo-rifamycin
230-273-3 [EINECS]
236-938-4 [EINECS]
6998-60-3 [RN]
MFCD06198807 [MDL number]
More...

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

UNII:PI53N820JV [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: 917.4±65.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.3 mmHg at 25°C
    Enthalpy of Vaporization: 139.8±3.0 kJ/mol
    Flash Point: 508.6±34.3 °C
    Index of Refraction: 1.605
    Molar Refractivity: 179.0±0.4 cm3
    #H bond acceptors: 13
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 2
    ACD/LogP: 2.87
    ACD/LogD (pH 5.5): 1.63
    ACD/BCF (pH 5.5): 4.22
    ACD/KOC (pH 5.5): 34.72
    ACD/LogD (pH 7.4): 0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.34
    Polar Surface Area: 195 Å2
    Polarizability: 70.9±0.5 10-24cm3
    Surface Tension: 61.8±5.0 dyne/cm
    Molar Volume: 519.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement