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123012-00-0 | 2(3H)-Furanone, dihydro-5-[(11R)-11-hydroxy-11-[(2R,2'R,5R,5'R)-octahydro-5'-[(1S)-1-hydroxyundecyl][2,2'-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-, (3S,5R)-
CAS No: 123012-00-0 Catalog No: AG000JY8 MDL No:
Product Description
Catalog Number:
AG000JY8
Chemical Name:
2(3H)-Furanone, dihydro-5-[(11R)-11-hydroxy-11-[(2R,2'R,5R,5'R)-octahydro-5'-[(1S)-1-hydroxyundecyl][2,2'-bifuran]-5-yl]undecyl]-3-(2-oxopropyl)-, (3S,5R)-
CAS Number:
123012-00-0
Molecular Formula:
C37H66O7
Molecular Weight:
622.9157
IUPAC Name:
(3S,5R)-5-[(11R)-11-hydroxy-11-[(5R)-5-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]undecyl]-3-(2-oxopropyl)oxolan-2-one
InChI:
InChI=1S/C37H66O7/c1-3-4-5-6-7-11-14-17-20-31(39)33-22-24-35(43-33)36-25-23-34(44-36)32(40)21-18-15-12-9-8-10-13-16-19-30-27-29(26-28(2)38)37(41)42-30/h29-36,39-40H,3-27H2,1-2H3/t29-,30-,31+,32-,33-,34?,35-,36-/m1/s1
InChI Key:
KGGVWMAPBXIMEM-WPNKHTOASA-N
SMILES:
CCCCCCCCCC[C@@H]([C@H]1CC[C@@H](O1)[C@H]1CC[C@@H](O1)[C@@H](CCCCCCCCCC[C@@H]1C[C@H](C(=O)O1)CC(=O)C)O)O
Properties
Complexity:
788
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
7
Defined Bond Stereocenter Count:
0
Exact Mass:
622.481g/mol
Formal Charge:
0
Heavy Atom Count:
44
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
622.928g/mol
Monoisotopic Mass:
622.481g/mol
Rotatable Bond Count:
25
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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