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WF 11899A 5mg

CAT: 0628-A12428-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A12428-5Size:5 mg
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CAS Number
160335-87-5

Chemical Information

WF 11899A

WF11899A is an oligopeptide.

CAS Number160335-87-5
PubChem CID461347
IUPAC Name[5-[2-[3-(3-amino-1-hydroxy-3-oxopropyl)-18-(hexadecanoylamino)-11,20,21,25-tetrahydroxy-15-(1-hydroxyethyl)-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
Molecular FormulaC51H82N8O21S
Molecular Weight1175.3
XLogP0.5
Topological Polar Surface Area483
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count24
Heavy Atom Count81
Formal Charge0
Complexity2230
SMILES
CCCCCCCCCCCCCCCC(=O)NC1CC(C(NC(=O)C2C(C(CN2C(=O)C(NC(=O)C(NC(=O)C3CC(CN3C(=O)C(NC1=O)C(C)O)O)C(C(C4=CC(=C(C=C4)O)OS(=O)(=O)O)O)O)C(CC(=O)N)O)C)O)O)O
InChI
InChI=1S/C51H82N8O21S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-30-22-34(64)47(72)57-49(74)41-42(67)26(2)24-59(41)51(76)39(33(63)23-36(52)65)55-48(73)40(44(69)43(68)28-18-19-32(62)35(20-28)80-81(77,78)79)56-46(71)31-21-29(61)25-58(31)50(75)38(27(3)60)54-45(30)70/h18-20,26-27,29-31,33-34,38-44,47,60-64,67-69,72H,4-17,21-25H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)(H,77,78,79)
InChIKey
KAPLTEIQCKDUAT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of WF 11899A
CAS: 160335-87-5
CID: 461347
Formula: C51H82N8O21S
MW: 1175.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1175.3
XLogP30.5
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count24
Exact Mass1174.53152283
Monoisotopic Mass1174.53152283
Topological Polar Surface Area483 Ų
Heavy Atom Count81
Formal Charge0
Complexity2230
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count15
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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