一键配货
简介
Adenosine 5'-[alpha,beta-methylene]triphosphate is a nucleoside triphosphate analogue.
基本信息
查看详细信息中文名称
-
英文名称
-
中文别名
-
英文别名
-
CAS号
7292-42-4
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
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Structures
SMILES
C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N
Related Records
Substances
PubChem Reference Collection SID
505550841
Related Compounds
CAS Candidates.cas_candidates.cas_candidates
7292-42-4
Title and Summary
Description
Adenosine 5'-[alpha,beta-methylene]triphosphate is a nucleoside triphosphate analogue.
Molecular Weight
505.21
Standard molecular formula
C11H18N5O12P3
Names and Identifiers
IUPAC Name
[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid
Other Identifiers
CAS
7292-42-4
UNII
NYX13NT29D
KEGG ID
C13740
ChEBI ID
35056
Wikidata
Q27074393
ChEMBL ID
CHEMBL132722
AIDS Number
222062
DrugBank ID
DB02596
PubChem CID
91557
Nikkaji Number
J212.289H
Pharos Ligand ID
1WNK8TKD5X4S
DSSTox Substance ID
DTXSID20223219
Metabolomics Workbench ID
55070
European Community (EC) Number
230-723-9
Computed Descriptors
Descriptor.InChI
1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1
Descriptor.InChIKey
CAWZRIXWFRFUQB-IOSLPCCCSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
-5.9
Property Table.Complexity
800
Property Table.Exact Mass
505.01648202
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
31
Property Table.Monoisotopic Mass
505.01648202
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
8
Property Table.Hydrogen Bond Donor Count
7
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
16
Property Table.Topological Polar Surface Area
270
270 Ų
Property Table.Defined Atom Stereocenter Count
4
Property Table.Defined Bond Stereocenter Count
0
Property Table.Undefined Atom Stereocenter Count
0
Property Table.Undefined Bond Stereocenter Count
0
