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(3aS,4S,6R,6aR)-4-(iodomethyl)-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxole

(3aS,4S,6R,6aR)-4-(iodomethyl)-6-methoxy-2,2-dimethyl-tetrahydrofuro[3,4-d][1,3]dioxole

CAS: 38838-06-1

Formula: C9H15IO4

SMILES: [H][C@]12OC(C)(C)O[C@@]1([H])[C@H](OC)O[C@@H]2CI

IUPAC: (3aS,4S,6R,6aR)-4-(iodomethyl)-6-methoxy-2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxole

InChI: InChI=1S/C9H15IO4/c1-9(2)13-6-5(4-10)12-8(11-3)7(6)14-9/h5-8H,4H2,1-3H3/t5-,6+,7+,8-/m1/s1

Composition: C (34.41%), H (4.81%), I (40.40%), O (20.37%)

Molar Mass: 314.119

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 4
Exact Mass 314.0015
Formal Charge 0
FSP3 1
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey AAEYGFITCYWQDV-WCTZXXKLSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.36
Topological Polar Surface Area 36.92
Polarizability 23.91
Ring Count 2
Rotatable Bond Count 2

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