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(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid

(2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid

CAS: 17685-04-0

Formula: C8H14O7

SMILES: CCO[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O

IUPAC: (2S,3S,4S,5R,6R)-6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid

InChI: InChI=1S/C8H14O7/c1-2-14-8-5(11)3(9)4(10)6(15-8)7(12)13/h3-6,8-11H,2H2,1H3,(H,12,13)/t3-,4-,5-,6-,8+/m0/s1

Composition: C (43.25%), H (6.35%), O (50.40%)

Molar Mass: 222.193

Atom Count: 29

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 5
Exact Mass 222.073952791
Formal Charge 0
FSP3 0.87
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 4
InChIKey IWJBVMJWSPZNJH-UQGZVRACSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.29
Topological Polar Surface Area 116.45
Polarizability 18.84
Ring Count 1
Rotatable Bond Count 3

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