Found 1 result

Search term: MF = 'C_{54}H_{76}N_{2}O_{13}'

ChemSpider 2D Image | cephalostatin 13 | C54H76N2O13

cephalostatin 13

  • Molecular FormulaC54H76N2O13
  • Average mass961.187 Da
  • Monoisotopic mass960.534729 Da
  • ChemSpider ID10476940
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(1'S,2S,2'S,3R,3''R,3a'S,4b'R,5S,5''S,6a'S,9'R,9a'S,9b'S,11'R,11a'R,11b'S,12'S,14a'S,15b'R,17a'S,20a'S,20b'S,22'R,22a'R,22b'S)-5,5''-Bis(hydroxymethyl)-1',5,5'',9a',11a',12',20a',22a'-octamethyl-3a',4 ,4'',4b',5,5',5'',6',6a',7',9',9a',9b',10',11',11a',14a',15b',16',17',17a',18',20',20a',20b',21',22',22a'-octacosahydro-3H,3''H-dispiro[furan-2,13'-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1 ,2-b:1',2'-i]phenazine-2',2''-furan]-3,3'',9 [ACD/IUPAC Name]
cephalostatin 13
Dispiro[furan-2(3H),13'(2'H)-bisfuro[3'',2'':3',4']cyclopenta[1',2':5,6]naphtho[1,2-b:1',2'-i]phenazine-2',2''(3''H)-furan]-3,3'',9',11',11'b,22',22'b(1'H,12'H)-heptol, 3'a,4,4'',4'b,5,5',5'',6',6'a,7 ',9',9'a,9'b,10',11',11'a,14'a,15'b,16',17',17'a,18',20',20'a,20'b,21',22',22'a-octacosahydro-5,5''-bis(hydroxymethyl)-1',5,5'',9'a,11'a,12',20'a,22'a-octamethyl-, (1'S,2S,2'S,3R,3''R,3a'S,4b'R,5S,5'' S,6a'S,9'R,9a'S,9b'S,11'R,11a'R,11b'S,12'S,1 [ACD/Index Name]
158371-97-2 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.687
Molar Refractivity: 249.3±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 3
ACD/LogP: 4.26
ACD/LogD (pH 5.5): 3.83
ACD/BCF (pH 5.5): 479.90
ACD/KOC (pH 5.5): 2887.15
ACD/LogD (pH 7.4): 3.83
ACD/BCF (pH 7.4): 479.98
ACD/KOC (pH 7.4): 2887.63
Polar Surface Area: 245 Å2
Polarizability: 98.8±0.5 10-24cm3
Surface Tension: 82.9±5.0 dyne/cm
Molar Volume: 654.1±5.0 cm3

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