(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal

C12H24O11S — CID 162122317

IUPAC(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)CO
InChIInChI=1S/C6H12O6.C6H12O5S/c7-1-3(9)5(11)6(12)4(10)2-8;7-1-3(9)5(10)6(11)4(12)2-8/h2*1,3-6,8-12H,2H2/t2*3-,4+,5+,6+/m00/s1
InChIKeyZHORJGDWVQWZGF-UUBOPVPUSA-N
MW376.38 g/mol
LogP-5.82
Rot. Bonds10

About (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal

(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal (PubChem CID 162122317) has the molecular formula C12H24O11S and a molecular weight of 376.38 g/mol. Its IUPAC name is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal.

Molecular Properties

Compound Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
PubChem CID162122317
Molecular FormulaC12H24O11S
Molecular Weight376.38 g/mol
Exact Mass376.10
IUPAC Name(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal
SMILESO=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)CO
InChIInChI=1S/C6H12O6.C6H12O5S/c7-1-3(9)5(11)6(12)4(10)2-8;7-1-3(9)5(10)6(11)4(12)2-8/h2*1,3-6,8-12H,2H2/t2*3-,4+,5+,6+/m00/s1
InChIKeyZHORJGDWVQWZGF-UUBOPVPUSA-N
XLogP-5.82
TPSA216.21 Ų
H-Bond Donors10
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500376.38
LogP ≤ 5-5.82
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal 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

Invert Sugar
CID 21924868
Thioglucose
CID 88527
Sweetrex
CID 3082460
5-Thio-d-mannose
CID 20847505
D-Glucose, 6-thio-
CID 55254179
D-Glucose, 5-thio-
CID 1841
Sulfhydryl dextrose
CID 18647632
4-Thioglucose
CID 21145274
Thiodigalactose
CID 53787289
5-Thio-l-idose
CID 57514870
5-Thio-d-allose
CID 73947324
5-Thio-d-galactose
CID 87584255

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal?
The IUPAC name of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal (CID 162122317) is (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal.
What is the SMILES notation for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal?
The canonical SMILES for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal is O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O=C[C@H](O)[C@@H](O)[C@H](O)[C@H](S)CO.
What is the InChIKey of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal?
The InChIKey is ZHORJGDWVQWZGF-UUBOPVPUSA-N. The full InChI is InChI=1S/C6H12O6.C6H12O5S/c7-1-3(9)5(11)6(12)4(10)2-8;7-1-3(9)5(10)6(11)4(12)2-8/h2*1,3-6,8-12H,2H2/t2*3-,4+,5+,6+/m00/s1.
What are the key properties of (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal?
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal has a molecular weight of 376.38 g/mol, XLogP of -5.82, 10 rotatable bonds, 10 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3R,4S,5R)-2,3,4,6-tetrahydroxy-5-sulfanylhexanal is sourced from PubChem (CID 162122317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).