(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol

C9H13NO3 — CID 101024789

IUPAC(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cccc2)C[C@@H]1O
InChIInChI=1S/C9H13NO3/c11-6-8-7(12)5-9(13-8)10-3-1-2-4-10/h1-4,7-9,11-12H,5-6H2/t7-,8+,9+/m0/s1
InChIKeyOTPKQRNRZNIRJQ-DJLDLDEBSA-N
MW183.21 g/mol
LogP0.13
Rot. Bonds2

About (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol

(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol (PubChem CID 101024789) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
PubChem CID101024789
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol
SMILESOC[C@H]1O[C@@H](n2cccc2)C[C@@H]1O
InChIInChI=1S/C9H13NO3/c11-6-8-7(12)5-9(13-8)10-3-1-2-4-10/h1-4,7-9,11-12H,5-6H2/t7-,8+,9+/m0/s1
InChIKeyOTPKQRNRZNIRJQ-DJLDLDEBSA-N
XLogP0.13
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-5-(hydroxymethyl)oxolane-2,4-diol
CID 91205052
1-[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide
CID 67312306
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
3,4-dihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-2-one
CID 102088718
3-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2-dihydrobenzimidazol-2-ol
CID 174006603
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
(2R,3S,5R)-2-(hydroxymethyl)-5-(4-nitroindol-1-yl)oxolan-3-ol
CID 14081551
(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 91292674
(2R,3S,5R)-5-[4-(2-fluoro-3-pyridinyl)imidazol-1-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 132564643

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol?
The IUPAC name of (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol (CID 101024789) is (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol is OC[C@H]1O[C@@H](n2cccc2)C[C@@H]1O.
What is the InChIKey of (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol?
The InChIKey is OTPKQRNRZNIRJQ-DJLDLDEBSA-N. The full InChI is InChI=1S/C9H13NO3/c11-6-8-7(12)5-9(13-8)10-3-1-2-4-10/h1-4,7-9,11-12H,5-6H2/t7-,8+,9+/m0/s1.
What are the key properties of (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol?
(2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol has a molecular weight of 183.21 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-2-(hydroxymethyl)-5-pyrrol-1-yloxolan-3-ol is sourced from PubChem (CID 101024789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).