2-(Hydroxymethyl)pyrrolidine-3,4-diol

HCID 1335
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Basic information

CAS
105990-41-8
Standard SMILES
OCC1NCC(O)C1O
InChIKey
OQEBIHBLFRADNM-UHFFFAOYSA-N
Molecular formula
C5H11NO3
Average molar mass
133.15 g/mol
Monoisotopic mass
133.07389321

Names & identifiers

Preferred name
2-(Hydroxymethyl)pyrrolidine-3,4-diol
IUPAC
2-(hydroxymethyl)pyrrolidine-3,4-diol
English name
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
Molecular formula
C5H11NO3
Molecular weight
133.15

Names & synonyms

2-(hydroxymethyl)pyrrolidine-3,4-diol100937-52-8188925-57-72-(Hydroxymethyl)-(2R-(2a,3b,4b))-3,4-Pyrrolidinediol2-(Hydroxymethyl)-[2R-(2a,3b,4b)]-3,4-PyrrolidinediolSCHEMBL9810881,4-dideoxy-1,4-iminopentitolOQEBIHBLFRADNM-UHFFFAOYSA-NHMS3373I18IMRMD315273,4-dihydroxy-2-hydroxymethylpyrrolidine
Show more names
1,4-Dideoxy-1,4-iMino-D-ribitol3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
(+)-1,4-Dideoxy-1,4-imino-D-ribitol2-(Hydroxymethyl)-(2R,3R,4S)-3,4-Pyrrolidinediol(2R, 3R, 4R) - 2- (Hydroxymethyl) - 3, 4- pyrrolidinediol

Database identifiers

CAS
105990-41-8
PubChem CID
1335
Nikkaji
J921.329E

Properties

Computed structural properties

XLogP
-1.7
Topological polar surface area
72.7 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
9

Physicochemical properties

Boiling point
319.1 · 319.1±37.0 °C(Predicted)
Density
1.368 · 1.368±0.06 g/cm3(Predicted)
pka
14.13 · 14.13±0.60(Predicted)

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm；Extracellular

Suppliers3 total

泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
南京美韬医药科技有限公司[email protected] · [email protected]

Additional notes

DefinitionChEBI: 1,4-Dideoxy-1,4-imino-D-ribitol is a member of pyrrolidines.

Related reactions

1 records
New reaction record

Compound notes

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