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65664-83-7 | 2H-1,5,3-Dithiazonine-2,4-dibutanal, hexahydro-7,8-dihydroxy-
CAS No: 65664-83-7 Catalog No: AG006PVE MDL No:
Product Description
Catalog Number:
AG006PVE
Chemical Name:
2H-1,5,3-Dithiazonine-2,4-dibutanal, hexahydro-7,8-dihydroxy-
CAS Number:
65664-83-7
Molecular Formula:
C14H25NO4S2
Molecular Weight:
335.4826
IUPAC Name:
4-[7,8-dihydroxy-4-(4-oxobutyl)-1,5,3-dithiazonan-2-yl]butanal
InChI:
InChI=1S/C14H25NO4S2/c16-7-3-1-5-13-15-14(6-2-4-8-17)21-10-12(19)11(18)9-20-13/h7-8,11-15,18-19H,1-6,9-10H2
InChI Key:
BLRMKGZRMYXPOH-UHFFFAOYSA-N
SMILES:
O=CCCCC1SCC(O)C(CSC(N1)CCCC=O)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.123g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
335.477g/mol
Monoisotopic Mass:
335.123g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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