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125335-70-8 | L-Iditol, 2,5-diamino-1,4:3,6-dianhydro-2,5-dideoxy-
CAS No: 125335-70-8 Catalog No: AG000NI4 MDL No:MFCD10698656
Product Description
Catalog Number:
AG000NI4
Chemical Name:
L-Iditol, 2,5-diamino-1,4:3,6-dianhydro-2,5-dideoxy-
CAS Number:
125335-70-8
Molecular Formula:
C6H12N2O2
Molecular Weight:
144.1717
MDL Number:
MFCD10698656
IUPAC Name:
2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diamine
InChI:
InChI=1S/C6H12N2O2/c7-3-1-9-6-4(8)2-10-5(3)6/h3-6H,1-2,7-8H2
InChI Key:
XHQWSUCHPAVLNQ-UHFFFAOYSA-N
SMILES:
NC1COC2C1OCC2N
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.09g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.174g/mol
Monoisotopic Mass:
144.09g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.5A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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