ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

C12H28O11 — CID 88521604

IUPACethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
SMILESCCO.O=C[C@H](O)[C@@H](O)[C@H](O)CO.OC[C@@H](O)C(O)[C@@H](O)CO
InChIInChI=1S/C5H12O5.C5H10O5.C2H6O/c2*6-1-3(8)5(10)4(9)2-7;1-2-3/h3-10H,1-2H2;1,3-5,7-10H,2H2;3H,2H2,1H3/t3-,4+,5?;3-,4+,5+;/m.0./s1
InChIKeyICMUOVLRDNVVSE-FMTJWRRRSA-N
MW348.35 g/mol
LogP-5.69
Rot. Bonds8

About ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal

ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal (PubChem CID 88521604) has the molecular formula C12H28O11 and a molecular weight of 348.35 g/mol. Its IUPAC name is ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal.

Molecular Properties

Compound Nameethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
PubChem CID88521604
Molecular FormulaC12H28O11
Molecular Weight348.35 g/mol
Exact Mass348.16
IUPAC Nameethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
SMILESCCO.O=C[C@H](O)[C@@H](O)[C@H](O)CO.OC[C@@H](O)C(O)[C@@H](O)CO
InChIInChI=1S/C5H12O5.C5H10O5.C2H6O/c2*6-1-3(8)5(10)4(9)2-7;1-2-3/h3-10H,1-2H2;1,3-5,7-10H,2H2;3H,2H2,1H3/t3-,4+,5?;3-,4+,5+;/m.0./s1
InChIKeyICMUOVLRDNVVSE-FMTJWRRRSA-N
XLogP-5.69
TPSA219.37 Ų
H-Bond Donors10
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500348.35
LogP ≤ 5-5.69
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
ethanethiol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 87528291
(2S,4R)-pentane-1,2,3,4,5-pentol;propane-1,2,3-triol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal
CID 134284179
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;bis((2R,3S,4R)-2,3,4,5-tetrahydroxypentanal)
CID 57347809
2,3,4,5,6-pentahydroxyhexanal;pentane-1,2,3,4,5-pentol
CID 22593493
ethanol;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;bis(propane-1,2,3-triol)
CID 173331965

Frequently Asked Questions

What is the IUPAC name of ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal?
The IUPAC name of ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal (CID 88521604) is ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal.
What is the SMILES notation for ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal?
The canonical SMILES for ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal is CCO.O=C[C@H](O)[C@@H](O)[C@H](O)CO.OC[C@@H](O)C(O)[C@@H](O)CO.
What is the InChIKey of ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal?
The InChIKey is ICMUOVLRDNVVSE-FMTJWRRRSA-N. The full InChI is InChI=1S/C5H12O5.C5H10O5.C2H6O/c2*6-1-3(8)5(10)4(9)2-7;1-2-3/h3-10H,1-2H2;1,3-5,7-10H,2H2;3H,2H2,1H3/t3-,4+,5?;3-,4+,5+;/m.0./s1.
What are the key properties of ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal?
ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal has a molecular weight of 348.35 g/mol, XLogP of -5.69, 8 rotatable bonds, 10 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(2S,4R)-pentane-1,2,3,4,5-pentol;(2R,3S,4R)-2,3,4,5-tetrahydroxypentanal is sourced from PubChem (CID 88521604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).