(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(prop-2-en-1-yloxy)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(prop-2-en-1-yloxy)oxane-3,4,5-triol

CAS: 2595-07-5

Formula: C9H16O6

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

IUPAC: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(prop-2-en-1-yloxy)oxane-3,4,5-triol

InChI: InChI=1S/C9H16O6/c1-2-3-14-9-8(13)7(12)6(11)5(4-10)15-9/h2,5-13H,1,3-4H2/t5-,6+,7+,8-,9-/m1/s1

Composition: C (49.09%), H (7.32%), O (43.59%)

Molar Mass: 220.221

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	5
Exact Mass	220.094688235
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	4
InChIKey	XJNKZTHFPGIJNS-QMGXLNLGSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.84
Topological Polar Surface Area	99.38
Polarizability	20.38
Ring Count	1
Rotatable Bond Count	4

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