CAS No.88859-04-5,Mafosfamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	88859-04-5
Name:	Mafosfamide
Article Data:	2

Formula:	C₉H₁₉Cl₂N₂O₅PS₂
Molecular Weight:	401.272
Synonyms:	Ethanesulfonicacid, 2-[[2-[bis(2-chloroethyl)amino]tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl]thio]-,P-oxide, cis-(?à)-;2H-1,3,2-Oxazaphosphorine, ethanesulfonic acid deriv.;Ethanesulfonic acid,2-[[2-[bis(2-chloroethyl)amino]tetrahydro-2-oxido-2H-1,3,2-oxazaphosphorin-4-yl]thio]-,cis-;Mafosfamid;Mafosfamide;Z 7557;cis-Mafosfamide;
Density:	1.54 g/cm³
PSA:	139.43000
LogP:	3.24070

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Specification

The Mafosfamide [INN] is an organic compound with the formula C₉H₁₉Cl₂N₂O₅PS₂. The systematic name of this chemical is 2-({(2R,4R)-2-[bis(2-chloroethyl)amino]-2-oxido-1,3,2-oxazaphosphinan-4-yl}sulfanyl)ethanesulfonic acid. With the CAS registry number 88859-04-5, it is also named as Ethanesulfonic acid, 2-(((2R,4R)-2-(bis(2-chloroethyl)amino)tetrahydro-2H-1,3,2-oxazaphosphorin-4-yl)thio)-, rel-. The product's category is API.

Physical properties about Mafosfamide [INN] are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 7; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 9; (8)Polar Surface Area: 139.43 Å²; (9)Index of Refraction: 1.573; (10)Molar Refractivity: 85.7 cm³; (11)Molar Volume: 259.8 cm³; (12)Polarizability: 33.97×10^-24cm³; (13)Surface Tension: 63 dyne/cm; (14)Density: 1.54 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P1(N[C@@H](CCO1)SCCS(O)(=O)=O)N(CCCl)CCCl
(2)InChI: InChI=1/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)/t9-,19-/m1/s1
(3)InChIKey: PBUUPFTVAPUWDE-AYLIAGHABO
(4)Std. InChI: InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)/t9-,19-/m1/s1
(5)Std. InChIKey: PBUUPFTVAPUWDE-AYLIAGHASA-N