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6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

CAS: 104777-68-6

Formula: C29H36O16

SMILES: OCC1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O

IUPAC: 6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl 3-(3,4-dihydroxyphenyl)prop-2-enoate

InChI: InChI=1/C29H36O16/c30-11-19-22(37)23(38)24(39)29(42-19)45-27-25(40)28(41-8-7-14-2-5-16(33)18(35)10-14)43-20(12-31)26(27)44-21(36)6-3-13-1-4-15(32)17(34)9-13/h1-6,9-10,19-20,22-35,37-40H,7-8,11-12H2

Composition: C (54.37%), H (5.66%), O (39.96%)

Molar Mass: 640.591

Atom Count: 81

Heavy Atom Count: 45

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 10
Exact Mass 640.200335079
Formal Charge 0
FSP3 0.48
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 15
Hydrogen Bond Donor Count 10
InChIKey KFEFLPDKISUVNR-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 149.95
Topological Polar Surface Area 265.52
Polarizability 59.53
Ring Count 4
Rotatable Bond Count 12

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Selleck Chemicals
Purity LeadTime CAS UnitPrice
98% <10 Days 104777-68-6 Quote Only