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Cytochalasin D

CAT: 0024-sc-201442ASize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-201442ASize:5 mg
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CAS Number
22144-77-0

Chemical Information

Cytochalasin D

Cytochalasin d appears as needles or fluffy white powder. (NTP, 1992)

CAS Number22144-77-0
PubChem CID5458428
IUPAC Name[(1R,2R,3E,5R,7S,9E,11R,12S,14S,15R,16S)-16-benzyl-5,12-dihydroxy-5,7,14-trimethyl-13-methylidene-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate
Molecular FormulaC30H37NO6
Molecular Weight507.6
XLogP2.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity996
SMILES
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)O
InChI
InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1
InChIKey
SDZRWUKZFQQKKV-JHADDHBZSA-N
Chemical Structure
2D Structure
2D structure of Cytochalasin D
CAS: 22144-77-0
CID: 5458428
Formula: C30H37NO6
MW: 507.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight507.6
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass507.26208790
Monoisotopic Mass507.26208790
Topological Polar Surface Area113 Ų
Heavy Atom Count37
Formal Charge0
Complexity996
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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