[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate

C10H18O7 — CID 18647269

IUPAC[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O7/c1-5(2)10(16)17-4-7(13)9(15)8(14)6(12)3-11/h6-9,11-15H,1,3-4H2,2H3/t6-,7+,8-,9-/m1/s1
InChIKeyRHFJHODDRQXMMH-BZNPZCIMSA-N
MW250.25 g/mol
LogP-2.46
Rot. Bonds7

About [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate

[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate (PubChem CID 18647269) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate
PubChem CID18647269
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Name[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O7/c1-5(2)10(16)17-4-7(13)9(15)8(14)6(12)3-11/h6-9,11-15H,1,3-4H2,2H3/t6-,7+,8-,9-/m1/s1
InChIKeyRHFJHODDRQXMMH-BZNPZCIMSA-N
XLogP-2.46
TPSA127.45 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 5-2.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate?
The IUPAC name of [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate (CID 18647269) is [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate.
What is the SMILES notation for [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate?
The canonical SMILES for [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate?
The InChIKey is RHFJHODDRQXMMH-BZNPZCIMSA-N. The full InChI is InChI=1S/C10H18O7/c1-5(2)10(16)17-4-7(13)9(15)8(14)6(12)3-11/h6-9,11-15H,1,3-4H2,2H3/t6-,7+,8-,9-/m1/s1.
What are the key properties of [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate?
[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate has a molecular weight of 250.25 g/mol, XLogP of -2.46, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-methylprop-2-enoate is sourced from PubChem (CID 18647269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).