ChemSpider 2D Image | ritterazine X | C54H76N2O8

ritterazine X

  • Molecular FormulaC54H76N2O8
  • Average mass881.190 Da
  • Monoisotopic mass880.560181 Da
  • ChemSpider ID8804863

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(1''S,2S,2''R,3'S,3a'S,3a''S,4'S,4b''R,5'R,5'''S,6a'S,6a''S,9a''S,9b''S,12a''R,14a''S,17a''S,17b''S,19''R,19a''R,19b''R)-4',19''-Dihydroxy-5'''-(hydroxymethyl)-1'',3',4',5,5,5''',9a'',17a'',19a''-nona methyl-3a',3a'',4,4',4''',4b'',5,5'',5''',6',6'',6a',6a'',7'',9'',9a'',9b'',10'',12a'',13'',14'',14a'',15'',17'',17a'',17b'',18'',19'',19a'',19b''-triacontahydro-3H,3'H,3'''H-trispiro[furan-2,2'-cyclo penta[b]furan-5',12''-furo[3'',2'':3',4']cyc [ACD/IUPAC Name]
ritterazine X
Trispiro[furan-2(3H),2'-[2H]cyclopenta[b]furan-5'(3'H),12''(2''H)-furo[3'',2'':3',4']cyclopenta[1',2':5,6]naphth[1,2-b]indeno[4,5-i]phenazine-2'',2'''(3'''H)-furan]-11''(1''H)-one, 3'a,3''a,4,4',4''', 4''b,5,5'',5''',6',6'',6'a,6''a,7'',9'',9''a,9''b,10'',12''a,13'',14'',14''a,15'',17'',17''a,17''b,18'',19'',19''a,19''b-triacontahydro-4',19''-dihydroxy-5'''-(hydroxymethyl)-1'',3',4',5,5,5''',9''a,1 7''a,19''a-nonamethyl-, (1''S,2S,2''R,3'S,3a [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.633
Molar Refractivity: 240.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 3
ACD/LogP: 6.66
ACD/LogD (pH 5.5): 6.74
ACD/BCF (pH 5.5): 77558.75
ACD/KOC (pH 5.5): 109995.32
ACD/LogD (pH 7.4): 6.74
ACD/BCF (pH 7.4): 77684.97
ACD/KOC (pH 7.4): 110174.33
Polar Surface Area: 140 Å2
Polarizability: 95.3±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 673.4±5.0 cm3

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