Found 16 results

Search term: MF = 'C_{54}H_{76}N_{2}O_{9}'

ChemSpider 2D Image | (1'S,2S,2'S,3R,3a'S,4b'R,5R,6a'S,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'R)-5-(Hydroxymethyl)-1',5,5'',5'',9a',11a',12',20a',22a'-nonamethyl-1',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',22b'-triacontahydro-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]-3,11',11b',22'(12'H)-tetrol | C54H76N2O9

(1'S,2S,2'S,3R,3a'S,4b'R,5R,6a'S,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'R)-5-(Hydroxymethyl)-1',5,5'',5'',9a',11a',12',20a',22a'-nonamethyl-1',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',22b'-triacontahydro-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]-3,11',11b',22'(12'H)-tetrol

  • Molecular FormulaC54H76N2O9
  • Average mass897.189 Da
  • Monoisotopic mass896.555054 Da
  • ChemSpider ID58859333
  • defined stereocentres - 22 of 22 defined stereocentres


More details:






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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.652
Molar Refractivity: 243.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 4
ACD/LogP: 7.57
ACD/LogD (pH 5.5): 7.32
ACD/BCF (pH 5.5): 216949.45
ACD/KOC (pH 5.5): 229693.06
ACD/LogD (pH 7.4): 7.32
ACD/BCF (pH 7.4): 217284.86
ACD/KOC (pH 7.4): 230048.17
Polar Surface Area: 164 Å2
Polarizability: 96.4±0.5 10-24cm3
Surface Tension: 68.3±5.0 dyne/cm
Molar Volume: 664.7±5.0 cm3

Click to predict properties on the Chemicalize site






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