Iduronic Acid

HCID 18845
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Basic information

CAS
21675-53-6
Standard SMILES
O=C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O
InChIKey
IAJILQKETJEXLJ-LECHCGJUSA-N
Molecular formula
C6H10O7
Average molar mass
194.14 g/mol
Monoisotopic mass
194.04265265

Names & identifiers

Preferred name
Iduronic Acid
IUPAC
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acid
English name
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acid
Molecular formula
C6H10O7
Molecular weight
194.14

Names & synonyms

3402-98-0(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxohexanoic acidAcid, IduronicDTXSID90187632RefChem:923294GlyTouCan:G40820STCHEBI:24769DTXCID50110123G40820STd-iduronic acidIduronic acid, D-F5HD8XQ3DP
Show more names
(2S,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxo-hexanoic acidrac-(2R*,3S*,4S*,5R*)-2,3,4,5-Tetrahydroxy-6-oxohexanoic acid
8DWF4HK64B21675-53-6UNII-F5HD8XQ3DPUNII-8DWF4HK64BIDURONIC ACID, DL-SCHEMBL147158IAJILQKETJEXLJ-LECHCGJUSA-NFI172176

Database identifiers

CAS
21675-53-6、3402-98-0
PubChem CID
18845
DTXSID
DTXSID90187632
UNII
8DWF4HK64B、F5HD8XQ3DP
Nikkaji
J1.238.749K

Properties

Computed structural properties

XLogP
-2.6
Topological polar surface area
135 Ų
Hydrogen bond donors
5
Hydrogen bond acceptors
7
Rotatable bonds
5
Heavy atoms
13

Experimental & physicochemical properties

Physical DescriptionSolid

Physicochemical properties

Boiling point
553.4 · 553.4±50.0 °C(Predicted)
Density
1.748 · 1.748±0.06 g/cm3(Predicted)
pka
3.3 · 3.30±0.35(Predicted)
FDA UNII
5 HD8XQ3DP · F5HD8XQ3DP

Chemistry & industry

Pharmacology

Tissue LocationsFibroblasts
Cellular LocationsLysosome

Suppliers1 total

BOC Sciences16314854226 · [email protected]

Related reactions

3 records
New reaction record

Compound notes

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