2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1-benzopyran-3,4-dione

2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H-1-benzopyran-3,4-dione

CAS: 652-78-8

Formula: C21H20O13

SMILES: OC[C@H]1O[C@@H](OC2=C3OC(C(=O)C(=O)C3=C(O)C=C2O)C2=CC=C(O)C(O)=C2)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-3,4-dione

InChI: InChI=1S/C21H20O13/c22-5-11-13(27)15(29)17(31)21(32-11)34-19-10(26)4-9(25)12-14(28)16(30)18(33-20(12)19)6-1-2-7(23)8(24)3-6/h1-4,11,13,15,17-18,21-27,29,31H,5H2/t11-,13-,15+,17-,18?,21+/m1/s1

Composition: C (52.51%), H (4.20%), O (43.30%)

Molar Mass: 480.378

Atom Count: 54

Heavy Atom Count: 34

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	6
Exact Mass	480.090390704
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	8
InChIKey	CFVPLZPWJLEYTP-IWOPEHKRSA-N
Lipinski's Rule of Five
Molar Refractivity	108.12
Topological Polar Surface Area	223.67
Polarizability	42.54
Ring Count	4
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.04%	<7 Days	652-78-8		$57.04-$187.00$57.04$121.55$187.00