3'-AZIDO-3'-DEOXYTHYMIDINE

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Keyword(s): Human Neurotoxin
Molecule Category Free-form
UNII 4B9XT59T7S
EPA CompTox DTXSID8020127

Structure

InChI Key HBOMLICNUCNMMY-XLPZGREQSA-N
Smiles CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]
InChI
InChI=1S/C10H13N5O4/c1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h3,6-8,16H,2,4H2,1H3,(H,12,17,18)/t6-,7+,8+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H13N5O4
Molecular Weight 267.1
AlogP 0.22
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 133.34
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 30516-87-1
NORMAN SUSDAT
FDA SRS 4B9XT59T7S
PubChem 35370
ChemSpider 32555.0
CONTENTS