CAS 10485-94-6|CAS 10030-85-0|CAS 3615-41-6|L-rha|(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal|6-DESOXY-L-MANNOSE|alpha-L-Mannomethylose|alpha-L-Rhamnoside|Rhamnose|alpha-L-rhamnosides|6-deoxy-L-mannos...

General Information

Structure

Molecular Formula

C₆H₁₂O₅

Molecular Mass

164.15648

Exact Mass

164.06847348

Charge

InChI

InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h2-6,8-11H,1H3/t3-,4-,5-,6-/m0/s1

InChIKey

PNNNRSAQSRJVSB-BXKVDMCESA-N

Canonic Smiles

O=C[C@@H]([C@@H]([C@H]([C@@H](O)C)O)O)O

Isomeric Smiles

O=C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C

Calculated Properties

JChem

LogD (pH = 7.4)

-2.52

LogD (pH = 5.5)

-2.52

Log P

-2.52

Rotatable Bonds

H Donor

H Acceptors

Lipinski's Rule of Five

true

Acid pKa

12.31

Polar Surface Area

97.99

Polarizability

15.20

Molar Refractivity

35.80

LOG S

0.58

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC Traditional name

L-rha 6-deoxy-L-mannose rhamnose

IUPAC name

(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanal

Synonyms

6-DESOXY-L-MANNOSEalpha-L-MannomethyloseRhamnosealpha-L-Rhamnosidealpha-L-rhamnosidesL-mannomethylose6-deoxy-L-mannoseisodulcitalpha-L-Rhaalpha-L-RhamnoseL-rhamnoseL-Rhamnose(2R,3R,4S,5S)-2,3,4,5-Tetrahydroxyhexanal(2R,3R,4S,5S)-2,3,4,5-tetrahydroxyhexanalaldehydo-L-rhamnoseL-RhaL-rhamnose

Names and Identifiers

Registration numbers

CHEBI ID

16055CHEBI:57622CHEBI:6292CHEBI:13160CHEBI:21378CHEBI:45427CHEBI:16055

Unique Ingredient Identifier

PubChem CID

DrugBank ID

KEGG ID