(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

(6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS: 137941-45-8

Formula: C22H30O14

SMILES: COC1=CC(C=CC(=O)OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)=CC=C1O

IUPAC: (6-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-3,4,5-trihydroxyoxan-2-yl)methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

InChI: InChI=1/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3

Composition: C (50.97%), H (5.83%), O (43.20%)

Molar Mass: 518.468

Atom Count: 66

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	9
Exact Mass	518.163555646
Formal Charge	0
FSP3	0.59
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	13
Hydrogen Bond Donor Count	8
InChIKey	XMBZZLUIFFOAHR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	116.79
Topological Polar Surface Area	225.06
Polarizability	47
Ring Count	3
Rotatable Bond Count	10

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