Didechlorodihydroxycyclophosphamide

CAT: 1596-AR-C05212-06Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C05212-06Size:50 Units

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CAS Number

90632-33-0

Synonyms

2- (bis (2-hydroxyethyl) amino) -1,3,2-oxazaphosphinane 2-oxide

Molecular Formula

C7H17N2O4P

Molecular Weight

224.20

API Name

Cyclophosphamide

Chemical Information

2-(Bis(2-hydroxyethyl)amino)-1,3,2-oxazaphosphinane 2-oxide

CAS Number	90632-33-0
PubChem CID	154730080
IUPAC Name	2-[2-hydroxyethyl-(2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl)amino]ethanol
Molecular Formula	C7H17N2O4P
Molecular Weight	224.19
XLogP	-1.9
Topological Polar Surface Area	82
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	14
Formal Charge	0
Complexity	208

SMILES

C1CNP(=O)(OC1)N(CCO)CCO

InChI

InChI=1S/C7H17N2O4P/c10-5-3-9(4-6-11)14(12)8-2-1-7-13-14/h10-11H,1-7H2,(H,8,12)

InChIKey

CTLWCMQQSOFQIU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 90632-33-0

CID: 154730080

Formula: C7H17N2O4P

MW: 224.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	224.19
XLogP3	-1.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	224.09259403
Monoisotopic Mass	224.09259403
Topological Polar Surface Area	82 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	208
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-D906320-25MG	Didechlorodihydroxycyclophosphamide (Technical Grade)