Found 6 results

Search term: MF = 'C_{37}H_{45}NO_{14}'
ChemSpider 2D Image | (7S,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-Tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-hexamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.1~4,7~.0~5,28~]t riaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate | C37H45NO14

(7S,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-Tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-hexamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]t riaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate

  • Molecular FormulaC37H45NO14
  • Average mass727.752 Da
  • Monoisotopic mass727.283997 Da
  • ChemSpider ID78443293

  • 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,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-Tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-hexamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]t riaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl acetate [ACD/IUPAC Name]
(7S,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-Tetrahydroxy-18-(hydroxymethyl)-11-methoxy-3,7,12,14,16,22-hexamethyl-6,23,26,27-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]t riaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl-acetat [German] [ACD/IUPAC Name]
2,7-(Epoxy[1,11,13]pentadecatrienoimino)naphtho[2,1-b]furan-1,8,9,11(2H)-tetrone, 21-(acetyloxy)-5,6,17,19-tetrahydroxy-16-(hydroxymethyl)-23-methoxy-2,4,12,18,20,22-hexamethyl-, (2S,12Z,14E,16R,17S,1 8R,19R,20R,21S,22R,23S,24E)- [ACD/Index Name]
Acétate de (7S,9E,11S,12R,13S,14R,15R,16R,17S,18R,19E,21Z)-2,15,17,29-tétrahydroxy-18-(hydroxyméthyl)-11-méthoxy-3,7,12,14,16,22-hexaméthyl-6,23,26,27-tétraoxo-8,30-dioxa-24-azatétracyclo[23.3.1.14,7 .05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaén-13-yle [French] [ACD/IUPAC Name]
3,31-dihydroxyrifamycin S

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

Density: 1.4±0.1 g/cm3
Boiling Point: 940.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 143.3±3.0 kJ/mol
Flash Point: 522.3±34.3 °C
Index of Refraction: 1.625
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 15
#H bond donors: 6
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 3
ACD/LogP: -0.03
ACD/LogD (pH 5.5): -1.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.88
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 235 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 70.3±5.0 dyne/cm
Molar Volume: 514.0±5.0 cm3

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