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(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

CAS: 52571-71-8

Formula: C12H15NO8

SMILES: OC[C@H]1O[C@H](OC2=CC=CC(=C2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O

IUPAC: (2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(3-nitrophenoxy)oxane-3,4,5-triol

InChI: InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1

Composition: C (47.84%), H (5.02%), N (4.65%), O (42.49%)

Molar Mass: 301.251

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 5
Exact Mass 301.079766447
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 4
InChIKey VCCMGHVCRFMITI-IIRVCBMXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.5
Topological Polar Surface Area 142.52
Polarizability 26.65
Ring Count 2
Rotatable Bond Count 4

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