Chemical ID: 3968642

CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O
Chemical ID:
3968642
Name [?]:
1-methyl-1-nitroso-3-[2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]-urea
SMILES [?]:
CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C8H15N3O7
All Atoms:18
Heavy Atoms:18
Chiral Atoms:5
ZAP Information [?]
Total:3.69396
Area:432.101
Solvation:-7.10856
Coulombic:-102.21
Bond Count [?]
All:18
Single:16
Double:2
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:265.221
H-Bond Donors:5
H-Bond Acceptors:10
XLogP:-1.69
LogP (Chemaxon):-1.76

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue