(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol

C10H15NO5 — CID 134149590

IUPAC(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2ccc[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H15NO5/c12-4-6-7(13)8(14)9(15)10(16-6)5-2-1-3-11-5/h1-3,6-15H,4H2/t6-,7-,8+,9-,10+/m1/s1
InChIKeyPADPYMJQCPJDGX-SPFKKGSWSA-N
MW229.23 g/mol
LogP-1.47
Rot. Bonds2

About (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol

(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol (PubChem CID 134149590) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol
PubChem CID134149590
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](c2ccc[nH]2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H15NO5/c12-4-6-7(13)8(14)9(15)10(16-6)5-2-1-3-11-5/h1-3,6-15H,4H2/t6-,7-,8+,9-,10+/m1/s1
InChIKeyPADPYMJQCPJDGX-SPFKKGSWSA-N
XLogP-1.47
TPSA105.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol (CID 134149590) is (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol is OC[C@H]1O[C@@H](c2ccc[nH]2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol?
The InChIKey is PADPYMJQCPJDGX-SPFKKGSWSA-N. The full InChI is InChI=1S/C10H15NO5/c12-4-6-7(13)8(14)9(15)10(16-6)5-2-1-3-11-5/h1-3,6-15H,4H2/t6-,7-,8+,9-,10+/m1/s1.
What are the key properties of (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol?
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol has a molecular weight of 229.23 g/mol, XLogP of -1.47, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(1H-pyrrol-2-yl)oxane-3,4,5-triol is sourced from PubChem (CID 134149590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).