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[(2R,3S,4R,5R,6S)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

[(2R,3S,4R,5R,6S)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

CAS: 1632287-34-3

Formula: C23H27ClO7

SMILES: CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)C=C1

IUPAC: [(2R,3S,4R,5R,6S)-6-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-3,4,5-trihydroxyoxan-2-yl]methyl acetate

InChI: InChI=1S/C23H27ClO7/c1-3-29-17-7-4-14(5-8-17)10-16-11-15(6-9-18(16)24)23-22(28)21(27)20(26)19(31-23)12-30-13(2)25/h4-9,11,19-23,26-28H,3,10,12H2,1-2H3/t19-,20-,21+,22-,23+/m1/s1

Composition: C (61.27%), H (6.04%), Cl (7.86%), O (24.84%)

Molar Mass: 450.91

Atom Count: 58

Heavy Atom Count: 31

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 5
Exact Mass 450.1445309
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey BUEQNLXFYWBZES-ZQGJOIPISA-N
Lipinski's Rule of Five 1
Molar Refractivity 114.08
Topological Polar Surface Area 105.45
Polarizability 45.3
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
97% <14 Days 1632287-34-3 $100.98-$805.80$100.98$416.16$805.80
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