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Cyanin chloride

CAT: 0024-sc-234429BSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-234429BSize:5 mg
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CAS Number
2611-67-8

Chemical Information

Cyanidin 3,5-diglucoside

cyanidin 3,5-diglucoside has been reported in Croton insularis with data available.

CAS Number2611-67-8
PubChem CID5158757
IUPAC Name2-(3,4-dihydroxyphenyl)-3,5-bis[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-7-one
Molecular FormulaC27H30O16
Molecular Weight610.5
XLogP-3
Topological Polar Surface Area266
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Heavy Atom Count43
Formal Charge0
Complexity1180
SMILES
C1=CC(=C(C=C1C2=C(C=C3C(=CC(=O)C=C3OC4C(C(C(C(O4)CO)O)O)O)O2)OC5C(C(C(C(O5)CO)O)O)O)O)O
InChI
InChI=1S/C27H30O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-29,31-38H,7-8H2
InChIKey
MVCZYIINCNBXDB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyanidin 3,5-diglucoside
CAS: 2611-67-8
CID: 5158757
Formula: C27H30O16
MW: 610.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight610.5
XLogP3-3
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count16
Rotatable Bond Count7
Exact Mass610.15338487
Monoisotopic Mass610.15338487
Topological Polar Surface Area266 Ų
Heavy Atom Count43
Formal Charge0
Complexity1180
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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