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

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

CAS: 597-12-6

Formula: C18H32O16

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

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

InChI: InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,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 melezitose; melizitose
Aromatic Ring Count 0
Asymmetric Atom Count 14
Exact Mass 504.16903495
Formal Charge 0
FSP3 1
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 16
Hydrogen Bond Donor Count 11
InChIKey QWIZNVHXZXRPDR-WSCXOGSTSA-N
Lipinski's Rule of Five
Molar Refractivity 101.19
Topological Polar Surface Area 268.68
Polarizability 42.78
Ring Count 3
Rotatable Bond Count 8

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