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(2R,3S,4R,5R,6S)-2-{4-[(1S,3aR,4R,6aR)-4-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-{4-[(1S,3aR,4R,6aR)-4-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 39432-56-9

Formula: C34H46O18

SMILES: COC1=CC(=CC(OC)=C1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1OC[C@H]2[C@@H]1CO[C@H]2C1=CC(OC)=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(OC)=C1

IUPAC: (2R,3S,4R,5R,6S)-2-{4-[(1S,3aR,4R,6aR)-4-(3,5-dimethoxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)-hexahydrofuro[3,4-c]furan-1-yl]-2,6-dimethoxyphenoxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1S/C34H46O18/c1-43-17-5-13(6-18(44-2)31(17)51-33-27(41)25(39)23(37)21(9-35)49-33)29-15-11-48-30(16(15)12-47-29)14-7-19(45-3)32(20(8-14)46-4)52-34-28(42)26(40)24(38)22(10-36)50-34/h5-8,15-16,21-30,33-42H,9-12H2,1-4H3/t15-,16-,21-,22+,23-,24+,25+,26-,

Composition: C (54.98%), H (6.24%), O (38.77%)

Molar Mass: 742.724

Atom Count: 98

Heavy Atom Count: 52

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 14
Exact Mass 742.268414641
Formal Charge 0
FSP3 0.65
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 18
Hydrogen Bond Donor Count 8
InChIKey FFDULTAFAQRACT-LIUKETFXSA-N
Lipinski's Rule of Five
Molar Refractivity 172.32
Topological Polar Surface Area 254.14
Polarizability 69.75
Ring Count 6
Rotatable Bond Count 12

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Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 39432-56-9 $38.22-$658.91$38.22$53.51$68.80$151.35$245.37$365.38$658.91
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