methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate

C14H18O5 — CID 162983830

IUPACmethyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@H](O)[C@H](O)[C@H](c2ccccc2)O1
InChIInChI=1S/C14H18O5/c1-18-12(16)8-10-7-11(15)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10-11,13-15,17H,7-8H2,1H3/t10-,11+,13+,14+/m1/s1
InChIKeyKDINCHVBSLYDMN-XWUBHJNHSA-N
MW266.29 g/mol
LogP0.80
Rot. Bonds3

About methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate

methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate (PubChem CID 162983830) has the molecular formula C14H18O5 and a molecular weight of 266.29 g/mol. Its IUPAC name is methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
PubChem CID162983830
Molecular FormulaC14H18O5
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Namemethyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate
SMILESCOC(=O)C[C@H]1C[C@H](O)[C@H](O)[C@H](c2ccccc2)O1
InChIInChI=1S/C14H18O5/c1-18-12(16)8-10-7-11(15)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10-11,13-15,17H,7-8H2,1H3/t10-,11+,13+,14+/m1/s1
InChIKeyKDINCHVBSLYDMN-XWUBHJNHSA-N
XLogP0.80
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate with MolForge

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Related Compounds

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Crassalactone C
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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate?
The IUPAC name of methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate (CID 162983830) is methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate?
The canonical SMILES for methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate is COC(=O)C[C@H]1C[C@H](O)[C@H](O)[C@H](c2ccccc2)O1.
What is the InChIKey of methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate?
The InChIKey is KDINCHVBSLYDMN-XWUBHJNHSA-N. The full InChI is InChI=1S/C14H18O5/c1-18-12(16)8-10-7-11(15)13(17)14(19-10)9-5-3-2-4-6-9/h2-6,10-11,13-15,17H,7-8H2,1H3/t10-,11+,13+,14+/m1/s1.
What are the key properties of methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate?
methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate has a molecular weight of 266.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2R,4S,5S,6S)-4,5-dihydroxy-6-phenyloxan-2-yl]acetate is sourced from PubChem (CID 162983830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).