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2,2'-Anhydrocytidine

CAT: 0024-sc-283316Size: 2 gDry Ice: NoHazardous: No
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CAT#:0024-sc-283316Size:2 g
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CAS Number
782400-39-9

Chemical Information

10-Amino-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-9,11-dien-5-ol
CAS Number782400-39-9
PubChem CID74041782
IUPAC Name10-amino-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-9,11-dien-5-ol
Molecular FormulaC9H13N3O4
Molecular Weight227.22
XLogP-1.8
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count16
Formal Charge0
Complexity359
SMILES
C1=CN2C3C(C(C(O3)CO)O)OC2N=C1N
InChI
InChI=1S/C9H13N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-9,13-14H,3H2,(H2,10,11)
InChIKey
NIXQLVDRUYQUIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 10-Amino-4-(hydroxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-9,11-dien-5-ol
CAS: 782400-39-9
CID: 74041782
Formula: C9H13N3O4
MW: 227.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight227.22
XLogP3-1.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass227.09060590
Monoisotopic Mass227.09060590
Topological Polar Surface Area101 Ų
Heavy Atom Count16
Formal Charge0
Complexity359
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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