formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate

C25H24O7 — CID 174594571

IUPACformyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate
SMILESCC(O)C(O)(c1ccccc1)C(O)(c1ccccc1)C(O)(C(=O)OC=O)c1ccccc1
InChIInChI=1S/C25H24O7/c1-18(27)23(29,19-11-5-2-6-12-19)25(31,21-15-9-4-10-16-21)24(30,22(28)32-17-26)20-13-7-3-8-14-20/h2-18,27,29-31H,1H3
InChIKeyDLMDLMGDBBVDCU-UHFFFAOYSA-N
MW436.46 g/mol
LogP1.73
Rot. Bonds8

About formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate

formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate (PubChem CID 174594571) has the molecular formula C25H24O7 and a molecular weight of 436.46 g/mol. Its IUPAC name is formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate.

Molecular Properties

Compound Nameformyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate
PubChem CID174594571
Molecular FormulaC25H24O7
Molecular Weight436.46 g/mol
Exact Mass436.15
IUPAC Nameformyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate
SMILESCC(O)C(O)(c1ccccc1)C(O)(c1ccccc1)C(O)(C(=O)OC=O)c1ccccc1
InChIInChI=1S/C25H24O7/c1-18(27)23(29,19-11-5-2-6-12-19)25(31,21-15-9-4-10-16-21)24(30,22(28)32-17-26)20-13-7-3-8-14-20/h2-18,27,29-31H,1H3
InChIKeyDLMDLMGDBBVDCU-UHFFFAOYSA-N
XLogP1.73
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336800
(2R,3R)-2,3-dihydroxy-2,3-diphenylbutanedioic acid
CID 101336799
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
2-hydroxy-3-methyl-2-phenylbutanal
CID 12859212
methyl 3,3,3-trifluoro-2-hydroxy-2-phenylpropanoate
CID 3841925
2,3-dihydroxy-2-phenoxybutanoic acid
CID 154366652
4-hydroxy-2-methyl-3-oxo-4-phenylpentanal
CID 175067613
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
acetaldehyde;1,1-diethoxyethane;2-phenylpentane-2,4-diol
CID 87322868
1-phenyl-2-(trifluoromethoxy)propane-1,1-diol
CID 141388332
methyl 4-chloro-4,4-difluoro-2-formamido-3-hydroxy-3-phenylbutanoate
CID 4050631
methyl (2S,3S)-4-chloro-4,4-difluoro-2-formamido-3-hydroxy-3-phenylbutanoate
CID 2303356

Frequently Asked Questions

What is the IUPAC name of formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate?
The IUPAC name of formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate (CID 174594571) is formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate.
What is the SMILES notation for formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate?
The canonical SMILES for formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate is CC(O)C(O)(c1ccccc1)C(O)(c1ccccc1)C(O)(C(=O)OC=O)c1ccccc1.
What is the InChIKey of formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate?
The InChIKey is DLMDLMGDBBVDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O7/c1-18(27)23(29,19-11-5-2-6-12-19)25(31,21-15-9-4-10-16-21)24(30,22(28)32-17-26)20-13-7-3-8-14-20/h2-18,27,29-31H,1H3.
What are the key properties of formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate?
formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate has a molecular weight of 436.46 g/mol, XLogP of 1.73, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for formyl 2,3,4,5-tetrahydroxy-2,3,4-triphenylhexanoate is sourced from PubChem (CID 174594571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).