3,3',4',5,5',7-Hexahydroxyflavylium supplier

Name
delphinidin
EINECS
CAS No. 13270-61-6
Article Data6
CAS DataBase
Density 1.3469 (rough estimate)
Solubility
Melting Point
Formula C₁₅H₁₁O₇
Boiling Point 364.18°C (rough estimate)
Molecular Weight 303.248
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms C017185
PSA 134.52000
LogP 2.61450

3,3',4',5,5',7-Hexahydroxyflavylium Specification

This chemical is called 3,3',4',5,5',7-Hexahydroxyflavylium, and its IUPAC name is 2-(3,4,5-trihydroxyphenyl)chromenylium-3,5,7-triol. With the molecular formula of C₁₅H₁₁O₇, its molecular weight is 303.26. The CAS registry number of this chemical is 13270-61-6, and its classification codes are Mutation data; Natural Product.

Other characteristics of the 3,3',4',5,5',7-Hexahydroxyflavylium can be summarised as followings: (1)#H bond acceptors: 7; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 7; (4)Polar Surface Area: 68.52 Å²; (5)Rotatable Bond Count: 1; (6)Tautomer Count: 618; (7)Exact Mass: 303.050478; (8)MonoIsotopic Mass: 303.050478; (9)Topological Polar Surface Area: 122; (10)Heavy Atom Count: 22; (11)Formal Charge: 1; (12)Complexity: 380; (13)Isotope Atom Count: 0; (14)Defined Atom StereoCenter Count: 0; (15)Undefined Atom StereoCenter Count: 0; (16)Defined Bond StereoCenter Count: 0; (17)Undefined Bond StereoCenter Count: 0; (18)Covalently-Bonded Unit Count: 1; (19)Feature 3D Donor Count: 6; (20)Feature 3D Ring Count: 3.

You can still convert the following datas into molecular structure:
1.SMILES: Oc1cc(cc(O)c1O)c3[o+]c2cc(O)cc(O)c2cc3O
2.InChI: InChI=1/C15H10O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5H,(H5-,16,17,18,19,20,21)/p+1
3.InChIKey: JKHRCGUTYDNCLE-IKLDFBCSAG

Product Name

delphinidin

3,3',4',5,5',7-Hexahydroxyflavylium Specification

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