一键配货
简介
Carboxyphosphamide is a nitrogen mustard.
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
22788-18-7
分子式
-
分子量
-
更新日期
2026-07-06
技术文档
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相关文章
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Structures
SMILES
C(COP(=O)(N)N(CCCl)CCCl)C(=O)O
2D Structure
https://labdr.oss-cn-shenzhen.aliyuncs.com/casimg/C2/22788-18-7.svg
3D Conformer
https://labdr.oss-cn-shenzhen.aliyuncs.com/mol3/2/22788-18-7.sdf
Related Records
Substances
PubChem Reference Collection SID
500767098
Related Compounds
CAS Candidates.cas_candidates.cas_candidates
22788-18-7
Title and Summary
Description
Carboxyphosphamide is a nitrogen mustard.
Molecular Weight
293.08
Standard molecular formula
C7H15Cl2N2O4P
Names and Identifiers
IUPAC Name
3-[amino-[bis(2-chloroethyl)amino]phosphoryl]oxypropanoic acid
Other Identifiers
CAS
22788-18-7
UNII
DP4677AX41
HMDB ID
HMDB0060449
KEGG ID
C07646
ChEBI ID
3410
Wikidata
Q15716203
ChEMBL ID
CHEMBL3544547
Wikipedia
Carboxycyclophosphamide
NSC Number
NSC145124
PharmGKB ID
PA166131318
PubChem CID
31515
Nikkaji Number
J16.758D
DSSTox Substance ID
DTXSID801030866
Metabolomics Workbench ID
67711
Computed Descriptors
Descriptor.InChI
1S/C7H15Cl2N2O4P/c8-2-4-11(5-3-9)16(10,14)15-6-1-7(12)13/h1-6H2,(H2,10,14)(H,12,13)
Descriptor.InChIKey
QLAKAJLYYGOZQL-UHFFFAOYSA-N
Chemical and Physical Properties
Computed Properties
Property Table.XLogP
-0.4
Property Table.Complexity
261
Property Table.Exact Mass
292.0146493
Property Table.Formal Charge
0
Property Table.Heavy Atom Count
16
Property Table.Monoisotopic Mass
292.0146493
Property Table.Isotope Atom Count
0
Property Table.Rotatable Bond Count
9
Property Table.Hydrogen Bond Donor Count
2
Property Table.Covalently-Bonded Unit Count
1
Property Table.Hydrogen Bond Acceptor Count
6
Property Table.Topological Polar Surface Area
92.9
Property Table.Defined Atom Stereocenter Count
0
Property Table.Defined Bond Stereocenter Count
0
Property Table.Undefined Atom Stereocenter Count
1
Property Table.Undefined Bond Stereocenter Count
0
