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(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,5-triol

(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,5-triol

CAS: 9008-22-4

Formula: C18H32O16

SMILES: OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](O)[C@@H](O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: (2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxane-2,3,5-triol

InChI: InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16+,17+,18+/m1/s1

Composition: C (42.86%), H (6.39%), O (50.75%)

Molar Mass: 504.438

Atom Count: 66

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 15
Exact Mass 504.16903495
Formal Charge 0
FSP3 1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 11
InChIKey DBTMGCOVALSLOR-DEVYUCJPSA-N
Lipinski's Rule of Five
Molar Refractivity 100.75
Topological Polar Surface Area 268.68
Polarizability 42.78
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
98% <5 Days 9008-22-4 $32.79-$282.46$32.79$47.92$103.40$282.46
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