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Rhamnolipids C14-C14

CAT: 0926-DR180367Size: 1 gDry Ice: NoHazardous: No
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CAT#:0926-DR180367Size:1 g
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CAS Number
915406-59-6
Smiles
CCCCCCCCCCCC (CC (=O) OC (CCCCCCCCCCC) CC (=O) O) OC1O[C@@H] (C) [C@H] (O) [C@@H] (O) [C@H]1O
Molecular Formula
C34H64O9
Molecular Weight
616.88 g/mol
Controlled
No

Chemical Information

Rhamnolipids C14-C14
CAS Number915406-59-6
PubChem CID171608187
IUPAC Name3-[3-[(3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxytetradecanoyloxy]tetradecanoic acid
Molecular FormulaC34H64O9
Molecular Weight616.9
XLogP9.1
Topological Polar Surface Area143
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count28
Heavy Atom Count43
Formal Charge0
Complexity703
SMILES
CCCCCCCCCCCC(CC(=O)O)OC(=O)CC(CCCCCCCCCCC)OC1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
InChI
InChI=1S/C34H64O9/c1-4-6-8-10-12-14-16-18-20-22-27(24-29(35)36)42-30(37)25-28(23-21-19-17-15-13-11-9-7-5-2)43-34-33(40)32(39)31(38)26(3)41-34/h26-28,31-34,38-40H,4-25H2,1-3H3,(H,35,36)/t26-,27?,28?,31-,32+,33+,34?/m0/s1
InChIKey
SWPAZQZLBGHLEZ-XEGXMGBDSA-N
Chemical Structure
2D Structure
2D structure of Rhamnolipids C14-C14
CAS: 915406-59-6
CID: 171608187
Formula: C34H64O9
MW: 616.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight616.9
XLogP39.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count28
Exact Mass616.45503361
Monoisotopic Mass616.45503361
Topological Polar Surface Area143 Ų
Heavy Atom Count43
Formal Charge0
Complexity703
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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