prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate

C10H18O7 — CID 54432024

IUPACprop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate
SMILESC=CCOC(=O)[C@](C)(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O7/c1-3-4-17-9(15)10(2,16)8(14)7(13)6(12)5-11/h3,6-8,11-14,16H,1,4-5H2,2H3/t6-,7-,8+,10-/m1/s1
InChIKeyWIDCBSUKOWRQAB-BDNRQGISSA-N
MW250.25 g/mol
LogP-2.46
Rot. Bonds7

About prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate

prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate (PubChem CID 54432024) has the molecular formula C10H18O7 and a molecular weight of 250.25 g/mol. Its IUPAC name is prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate.

Molecular Properties

Compound Nameprop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate
PubChem CID54432024
Molecular FormulaC10H18O7
Molecular Weight250.25 g/mol
Exact Mass250.11
IUPAC Nameprop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate
SMILESC=CCOC(=O)[C@](C)(O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIInChI=1S/C10H18O7/c1-3-4-17-9(15)10(2,16)8(14)7(13)6(12)5-11/h3,6-8,11-14,16H,1,4-5H2,2H3/t6-,7-,8+,10-/m1/s1
InChIKeyWIDCBSUKOWRQAB-BDNRQGISSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate?
The IUPAC name of prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate (CID 54432024) is prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate.
What is the SMILES notation for prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate?
The canonical SMILES for prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate is C=CCOC(=O)[C@](C)(O)[C@@H](O)[C@H](O)[C@H](O)CO.
What is the InChIKey of prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate?
The InChIKey is WIDCBSUKOWRQAB-BDNRQGISSA-N. The full InChI is InChI=1S/C10H18O7/c1-3-4-17-9(15)10(2,16)8(14)7(13)6(12)5-11/h3,6-8,11-14,16H,1,4-5H2,2H3/t6-,7-,8+,10-/m1/s1.
What are the key properties of prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate?
prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate 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 prop-2-enyl (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-2-methylhexanoate is sourced from PubChem (CID 54432024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).