(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal

C8H16O6 — CID 22887099

IUPAC(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal
SMILESC[C@@](O)([C@H](O)CO)[C@](C)(O)[C@@H](O)C=O
InChIInChI=1S/C8H16O6/c1-7(13,5(11)3-9)8(2,14)6(12)4-10/h3,5-6,10-14H,4H2,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKeyBTUWKBWVPKMCNO-LXGUWJNJSA-N
MW208.21 g/mol
LogP-2.60
Rot. Bonds5

About (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal

(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal (PubChem CID 22887099) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal.

Molecular Properties

Compound Name(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal
PubChem CID22887099
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal
SMILESC[C@@](O)([C@H](O)CO)[C@](C)(O)[C@@H](O)C=O
InChIInChI=1S/C8H16O6/c1-7(13,5(11)3-9)8(2,14)6(12)4-10/h3,5-6,10-14H,4H2,1-2H3/t5-,6+,7+,8+/m0/s1
InChIKeyBTUWKBWVPKMCNO-LXGUWJNJSA-N
XLogP-2.60
TPSA118.22 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal?
The IUPAC name of (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal (CID 22887099) is (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal.
What is the SMILES notation for (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal?
The canonical SMILES for (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal is C[C@@](O)([C@H](O)CO)[C@](C)(O)[C@@H](O)C=O.
What is the InChIKey of (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal?
The InChIKey is BTUWKBWVPKMCNO-LXGUWJNJSA-N. The full InChI is InChI=1S/C8H16O6/c1-7(13,5(11)3-9)8(2,14)6(12)4-10/h3,5-6,10-14H,4H2,1-2H3/t5-,6+,7+,8+/m0/s1.
What are the key properties of (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal?
(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal has a molecular weight of 208.21 g/mol, XLogP of -2.60, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-2,3,4,5,6-pentahydroxy-3,4-dimethylhexanal is sourced from PubChem (CID 22887099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).