(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal

C7H14O7 — CID 146272392

IUPAC(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal
SMILESO=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)CO
InChIInChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4?,5+,6+,7-/m1/s1
InChIKeyYPZMPEPLWKRVLD-HEMMPTCKSA-N
MW210.18 g/mol
LogP-4.02
Rot. Bonds6

About (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal

(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal (PubChem CID 146272392) has the molecular formula C7H14O7 and a molecular weight of 210.18 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal
PubChem CID146272392
Molecular FormulaC7H14O7
Molecular Weight210.18 g/mol
Exact Mass210.07
IUPAC Name(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal
SMILESO=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)CO
InChIInChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4?,5+,6+,7-/m1/s1
InChIKeyYPZMPEPLWKRVLD-HEMMPTCKSA-N
XLogP-4.02
TPSA138.45 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.18
LogP ≤ 5-4.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal 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,4S,5R,6R,7R,8R)-2,3,4,5,6,7,8,9-octahydroxynonanal
CID 87088979
(2S)-2,3,4,5,6-pentahydroxyhexanal
CID 89242343
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87227969
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2S,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 87772987
(3R,4R)-2,3,4,5,6-pentahydroxyhexanal
CID 130245293
(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 3037556
(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 86597567
2,3,4,5,6-pentahydroxyhexanal;hydrobromide
CID 174381497
azane;(2S,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal;(2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal
CID 173336808
methane;(2S,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexanal
CID 175873385
2,3,4,5,6-pentahydroxyhexanal;trihydrate
CID 174605740
CID 89396739
CID 89396739

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal?
The IUPAC name of (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal (CID 146272392) is (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal.
What is the SMILES notation for (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal?
The canonical SMILES for (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal is O=C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)CO.
What is the InChIKey of (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal?
The InChIKey is YPZMPEPLWKRVLD-HEMMPTCKSA-N. The full InChI is InChI=1S/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h1,3-7,9-14H,2H2/t3-,4?,5+,6+,7-/m1/s1.
What are the key properties of (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal?
(2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal has a molecular weight of 210.18 g/mol, XLogP of -4.02, 6 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2,3,4,5,6,7-hexahydroxyheptanal is sourced from PubChem (CID 146272392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).