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(2R,4R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0²,?]dodeca-8,11-dien-10-one

(2R,4R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0²,?]dodeca-8,11-dien-10-one

CAS: 22423-26-3

Formula: C10H12N2O5

SMILES: CC1=CN2[C@@H]3O[C@H](CO)[C@H](O)[C@H]3OC2=NC1=O

IUPAC: (2R,4R,5S,6R)-5-hydroxy-4-(hydroxymethyl)-11-methyl-3,7-dioxa-1,9-diazatricyclo[6.4.0.0²,?]dodeca-8,11-dien-10-one

InChI: InChI=1S/C10H12N2O5/c1-4-2-12-9-7(6(14)5(3-13)16-9)17-10(12)11-8(4)15/h2,5-7,9,13-14H,3H2,1H3/t5-,6+,7-,9-/m1/s1

Composition: C (50.00%), H (5.04%), N (11.66%), O (33.30%)

Molar Mass: 240.215

Atom Count: 29

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 4
Exact Mass 240.074621494
Formal Charge 0
FSP3 0.6
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey WLLOAUCNUMYOQI-JVZYCSMKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.13
Topological Polar Surface Area 91.59
Polarizability 21.5
Ring Count 3
Rotatable Bond Count 1

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