(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol

C6H13NO4 — CID 53354586

IUPAC(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@H]1NC[C@@](O)(CO)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-1-4-5(10)6(11,3-9)2-7-4/h4-5,7-11H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyZQMIUAFBMMIDFA-HSUXUTPPSA-N
MW163.17 g/mol
LogP-2.97
Rot. Bonds2

About (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol

(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol (PubChem CID 53354586) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
PubChem CID53354586
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol
SMILESOC[C@H]1NC[C@@](O)(CO)[C@@H]1O
InChIInChI=1S/C6H13NO4/c8-1-4-5(10)6(11,3-9)2-7-4/h4-5,7-11H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyZQMIUAFBMMIDFA-HSUXUTPPSA-N
XLogP-2.97
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-2.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2R,3R,4S)-
CID 446222
2,5-Dideoxy-2,5-Imino-D-Mannitol
CID 124702
1,4-Dideoxy-1,4-imino-d-arabinitol
CID 451991
(2S,3S,4S)-2-(hydroxymethyl)pyrrolidine-3,4-diol
CID 127716
2,5-Dideoxy-2,5-Imino-D-Glucitol
CID 11073745
2,5-dideoxy-2,5-imino-D-altritol
CID 10261406
2-(Hydroxymethyl)pyrrolidine-3,4-diol
CID 1335
Dideoxy-Imino-Lyxitol
CID 9882222
1,4-Dideoxy-1,4-imino-D-arabinitol hydrochloride
CID 11953777
(2R,3R,4R,5S)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol
CID 445074
3,4-Pyrrolidinediol, 2-(hydroxymethyl)-, (2S,3S,4R)-
CID 452009
(2R,3S,4R)-2-[(1S)-1,2-dihydroxyethyl]pyrrolidine-3,4-diol
CID 456279

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol (CID 53354586) is (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol is OC[C@H]1NC[C@@](O)(CO)[C@@H]1O.
What is the InChIKey of (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
The InChIKey is ZQMIUAFBMMIDFA-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H13NO4/c8-1-4-5(10)6(11,3-9)2-7-4/h4-5,7-11H,1-3H2/t4-,5-,6-/m1/s1.
What are the key properties of (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol has a molecular weight of 163.17 g/mol, XLogP of -2.97, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2,4-bis(hydroxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 53354586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).