Gcnu

HCID 97302

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Basic information

CAS: 33073-62-0
Standard SMILES: CC(=O)OC[C@H]1OC(OC(C)=O)[C@H](NC(=O)N(CCCl)N=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O
InChIKey: GKFKUZBTGYKBFS-XIHUBIEQSA-N
Molecular formula: C17H24ClN3O11
Average molar mass: 481.8 g/mol
Monoisotopic mass: 481.1099363

Names & identifiers

Preferred name: Gcnu
IUPAC: [(2R,3S,4R,5R)-3,4,6-triacetyloxy-5-[[2-chloroethyl(nitroso)carbamoyl]amino]oxan-2-yl]methyl acetate
English name: ICIG-1134
Molecular formula: C17H24ClN3O11
Molecular weight: 481.84

Names & synonyms

GCNUH4RUI6KA8W33073-62-0D-Glucopyranose, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-2-deoxy-, 1,3,4,6-tetraacetateICIG-1134RefChem:9221253-(tetraacetyl glucopyranos-2-yl)-1-(2-chloroethyl)-1-nitrosoureaAI3-52794CHLOROZOTOCIN TETRAACETATEUNII-H4RUI6KA8W1-(2-Chloroethyl)-1-nitroso-3-(1,3,4,6-tetra-O-acetyl-2-deoxy-D-glucopyranos-2-yl)ureaGlucopyranose, 2-(3-(2-chloroethyl)-3-nitrosoureido)-2-deoxy-, tetraacetate (ester), D-

Show more names

2-[[(2-Chloroethyl)nitrosoamino]carbonylamino]-2-deoxy-D-glucopyranose 1,3,4,6-tetraacetate

Urea, 1-(2-chloroethyl)-1-nitroso-3-(1,3,4,6-tetra-O-acetyl-2-deoxy-D-glucopyranos-2-yl)-orb1697111SCHEMBL29737839AKOS040751901T319182-[3-(2-chloroethyl)-3-nitrosoureido]-2-deoxy-glucopyranose tetracetateGLUCOPYRANOSE, 2-(3-(2-CHLOROETHYL)-3-NITROSOUREIDO)-2-DEOXY-, 1,3,4,6-TETRAACETATE, D- 3-(TETRAACETYLGLUCOPYRANOS-2-YL)-1-(2-CHLOROETHYL)-1-NITROSOUREA

Database identifiers

CAS: 33073-62-0

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 176 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 12
Rotatable bonds: 12
Heavy atoms: 32
Formal charge: 0
Complexity: 735

Physicochemical properties

Density: 1.507 · 1.507±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
pka: 8.099 · 8.099±0.70(predicted)
FDA UNII: 4 RUI6KA8W · H4RUI6KA8W

Chemistry & industry

Suppliers3 total

上海陶术生物科技股份有限公司13564774135 · [email protected]

TargetMol中国（陶术生物）15002134094 · [email protected]

上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]

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