[(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate

C7H12O7S — CID 142708126

IUPAC[(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate
SMILESO=COOS(=O)(=O)CC(O)/C=C/CCO
InChIInChI=1S/C7H12O7S/c8-4-2-1-3-7(10)5-15(11,12)14-13-6-9/h1,3,6-8,10H,2,4-5H2/b3-1+
InChIKeyNTYPFUWBOUBQSO-HNQUOIGGSA-N
MW240.23 g/mol
LogP-1.28
Rot. Bonds8

About [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate

[(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate (PubChem CID 142708126) has the molecular formula C7H12O7S and a molecular weight of 240.23 g/mol. Its IUPAC name is [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate.

Molecular Properties

Compound Name[(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate
PubChem CID142708126
Molecular FormulaC7H12O7S
Molecular Weight240.23 g/mol
Exact Mass240.03
IUPAC Name[(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate
SMILESO=COOS(=O)(=O)CC(O)/C=C/CCO
InChIInChI=1S/C7H12O7S/c8-4-2-1-3-7(10)5-15(11,12)14-13-6-9/h1,3,6-8,10H,2,4-5H2/b3-1+
InChIKeyNTYPFUWBOUBQSO-HNQUOIGGSA-N
XLogP-1.28
TPSA110.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2,7-dihydroxyhept-4-ynylsulfonyloxy formate
CID 142708140
2,7-dihydroxyhept-4-enylsulfonyl formate
CID 173061652
(3E)-deca-3,9-diene-1,5-diol
CID 18629776
(Z)-8-trimethylsilyloct-3-en-7-yne-1,5-diol
CID 10488754
(Z)-4-hydroxybut-1-ene-1-sulfonyl chloride
CID 117265856
formyl 3,6-dihydroxyhex-4-enoate
CID 173098007
methyl (15R)-15-hydroxynonadec-13-ene-1-sulfonate
CID 173208816
methyl 15-hydroxynonadec-13-ene-1-sulfonate
CID 86215508
(E)-1-(2-hydroxyethylamino)hept-3-en-2-ol
CID 101275171
iodo (E,3S)-7-chloro-3-hydroxyhept-4-enoate
CID 144970267
(E,2S)-dec-3-ene-1,2-diol
CID 101192698
ethyl 6,7-dihydroxyhept-4-enoate
CID 53423872

Frequently Asked Questions

What is the IUPAC name of [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate?
The IUPAC name of [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate (CID 142708126) is [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate.
What is the SMILES notation for [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate?
The canonical SMILES for [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate is O=COOS(=O)(=O)CC(O)/C=C/CCO.
What is the InChIKey of [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate?
The InChIKey is NTYPFUWBOUBQSO-HNQUOIGGSA-N. The full InChI is InChI=1S/C7H12O7S/c8-4-2-1-3-7(10)5-15(11,12)14-13-6-9/h1,3,6-8,10H,2,4-5H2/b3-1+.
What are the key properties of [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate?
[(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate has a molecular weight of 240.23 g/mol, XLogP of -1.28, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,6-dihydroxyhex-3-enyl]sulfonyloxy formate is sourced from PubChem (CID 142708126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).