lichenin - PubChem Public Chemical Database


		PubMed \| Entrez \| Structure \| PubChem \| Help

PubChem » Substance Summary

lichenin - Substance Summary (SID 3761)

Table of Contents

Drug and Chemical Information

Drug and Chemical Information: (Total:1)

Safety and Toxicology

EINECS - European Inventory of Existing Commercial Chemical Substances

TOXLINE - Citations to the toxicological literature

Data Source:

Depositor: KEGG
External ID: C00478

Properties Computed from Structure:

Molecular Weight	162.1406 [g/mol]
Molecular Formula	C₆H₁₀O₅
XLogP3-AA	-1.6
H-Bond Donor	4
H-Bond Acceptor	5
Rotatable Bond Count	1
Tautomer Count	7
Exact Mass	162.052823
MonoIsotopic Mass	162.052823
Topological Polar Surface Area	90.2
Heavy Atom Count	11
Formal Charge	0
Complexity	166
Isotope Atom Count	0
Defined Atom StereoCenter Count	3
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

Descriptors Computed from Structure:

IUPAC Name: (2S,3R,4R)-2-(hydroxymethyl)-3,4-dihydro-2H-pyran-3,4,5-triol
Canonical SMILES: C1=C(C(C(C(O1)CO)O)O)O
Isomeric SMILES: C1=C([C@@H]([C@H]([C@@H](O1)CO)O)O)O
InChI: InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h2,4-10H,1H2/t4-,5-,6-/m0/s1

InChIKey: CXKKSSKKIOZUNR-ZLUOBGJFSA-N

Substance Information:

SID 3761

Deposit Date: 2005-06-24
Modify Date: 2008-09-10

CID 439241

Create Date: 2005-06-24

Related Substances:

Same: 3 Links
Same, Connectivity: 6 Links
Same, Any Tautomers: 24 Links

Similar Substances: 62 Links

Depositor-Supplied Comments:

CAS: 1402-10-4