(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde

C6H10O5 — CID 21125809

IUPAC(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde
SMILESO=C[C@@H]1O[C@@H]1[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H10O5/c7-1-3(9)5(10)6-4(2-8)11-6/h2-7,9-10H,1H2/t3-,4+,5-,6+/m1/s1
InChIKeyWGLTWYFCHDJTIS-MOJAZDJTSA-N
MW162.14 g/mol
LogP-2.33
Rot. Bonds4

About (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde

(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde (PubChem CID 21125809) has the molecular formula C6H10O5 and a molecular weight of 162.14 g/mol. Its IUPAC name is (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde.

Molecular Properties

Compound Name(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde
PubChem CID21125809
Molecular FormulaC6H10O5
Molecular Weight162.14 g/mol
Exact Mass162.05
IUPAC Name(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde
SMILESO=C[C@@H]1O[C@@H]1[C@H](O)[C@H](O)CO
InChIInChI=1S/C6H10O5/c7-1-3(9)5(10)6-4(2-8)11-6/h2-7,9-10H,1H2/t3-,4+,5-,6+/m1/s1
InChIKeyWGLTWYFCHDJTIS-MOJAZDJTSA-N
XLogP-2.33
TPSA90.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 5-2.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 139557023
(2S,3S,4R)-2,3,4,5-tetrahydroxy(113C)pentanal
CID 131883808
(2R,3R,4R)-2,3,4,5-tetrahydroxy(2,3,4,5-13C4)pentanal
CID 87229143
(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal;(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 87648240
(2R,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 5311110
(2S,3S,4S)-2,3,4,5-tetrahydroxy(1,2,3,4,5-13C5)pentanal
CID 155903800
(2R,3R,4R)-2,3,4,5-tetrahydroxy(1,2-13C2)pentanal
CID 101262553
(2R)-5-(1,2,3-trihydroxypropyl)oxolane-2,3,4-triol
CID 22887183
(3S,4R,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67823819
cyclohexane-1,2,3,4,5,6-hexol;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 88608048
(3R,4S,5R)-5-[(1R,2R)-1,2,3-trihydroxypropyl]oxolane-2,3,4-triol
CID 67824107
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
CID 70476129

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde?
The IUPAC name of (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde (CID 21125809) is (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde.
What is the SMILES notation for (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde?
The canonical SMILES for (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde is O=C[C@@H]1O[C@@H]1[C@H](O)[C@H](O)CO.
What is the InChIKey of (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde?
The InChIKey is WGLTWYFCHDJTIS-MOJAZDJTSA-N. The full InChI is InChI=1S/C6H10O5/c7-1-3(9)5(10)6-4(2-8)11-6/h2-7,9-10H,1H2/t3-,4+,5-,6+/m1/s1.
What are the key properties of (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde?
(2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde has a molecular weight of 162.14 g/mol, XLogP of -2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-[(1R,2R)-1,2,3-trihydroxypropyl]oxirane-2-carbaldehyde is sourced from PubChem (CID 21125809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).