74751-37-4
1-(2-CHLOROETHYL)-3-(3-DEOXY-1-O-METHYL-2,4,6-TRI-O-ACETYL-D-GLUCOPYRA NOS-3-YL)-1-NITROSOUREA
Name1-(2-CHLOROETHYL)-3-(3-DEOXY-1-O-METHYL-2,4,6-TRI-O-ACETYL-D-GLUCOPYRA NOS-3-YL)-1-NITROSOUREA
pro_formulaC16 H24 Cl N3 O10
1Identification
【Name】
1-(2-CHLOROETHYL)-3-(3-DEOXY-1-O-METHYL-2,4,6-TRI-O-ACETYL-D-GLUCOPYRA NOS-3-YL)-1-NITROSOUREA
【CAS】
【MDL】
MFCD01676572
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C16 H24 Cl N3 O10
【pro_molWeight】
453.83
【Inchi】
InChI=1S/C16H24ClN3O10/c1-8(21)27-7-11-13(28-9(2)22)12(18-16(24)20(19-25)6-5-17)14(29-10(3)23)15(26-4)30-11/h11-15H,5-7H2,1-4H3,(H,18,24)/t11-,12+,13-,14-,15?/m1/s1
【InChIKey】
InChIKey=IQPDOPNOTVECJO-PFNKYVCDSA-N
【SMILES】
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H](C(O1)OC)OC(=O)C)NC(=O)N(CCCl)N=O)OC(=O)C
【MOL File】
1-(2-CHLOROETHYL)-3-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:13
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-(2-CHLOROETHYL)-3-(3-DEOXY-1-O-METHYL-2,4,6-TRI-O-ACETYL-D-GLUCOPYRA NOS-3-YL)-1-NITROSOUREA.cml