(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol

C5H9NO3 — CID 10080435

IUPAC(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESOC[C@@H]1N=C[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4-,5-/m0/s1
InChIKeyQUPCOXZVKXONSC-YUPRTTJUSA-N
MW131.13 g/mol
LogP-1.85
Rot. Bonds1

About (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol

(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol (PubChem CID 10080435) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
PubChem CID10080435
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol
SMILESOC[C@@H]1N=C[C@H](O)[C@H]1O
InChIInChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4-,5-/m0/s1
InChIKeyQUPCOXZVKXONSC-YUPRTTJUSA-N
XLogP-1.85
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-1.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The IUPAC name of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol (CID 10080435) is (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol.
What is the SMILES notation for (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The canonical SMILES for (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol is OC[C@@H]1N=C[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
The InChIKey is QUPCOXZVKXONSC-YUPRTTJUSA-N. The full InChI is InChI=1S/C5H9NO3/c7-2-3-5(9)4(8)1-6-3/h1,3-5,7-9H,2H2/t3-,4-,5-/m0/s1.
What are the key properties of (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol?
(2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol has a molecular weight of 131.13 g/mol, XLogP of -1.85, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S)-2-(hydroxymethyl)-3,4-dihydro-2H-pyrrole-3,4-diol is sourced from PubChem (CID 10080435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).