CORDYCEPIN TRIPHOSPHATE

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Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 59P84ZU54H
EPA CompTox DTXSID501014467

Structure

InChI Key NLIHPCYXRYQPSD-BAJZRUMYSA-N
Smiles Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)C[C@H]1O
InChI
InChI=1S/C10H16N5O12P3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(16)1-5(25-10)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-6,10,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,10+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16N5O12P3
Molecular Weight 491.0
AlogP -0.6
Hydrogen Bond Acceptor 13.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 8.0
Polar Surface Area 258.9
Heavy Atoms 30.0

Cross References

Resources Reference
CAS NUMBER 73-04-1
NORMAN SUSDAT
FDA SRS 59P84ZU54H
PubChem 65562
CONTENTS