ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate

C15H20O7 — CID 71570396

IUPACethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate
SMILESCCOC(=O)OC[C@H]1O[C@@H](c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20O7/c1-2-20-15(19)21-8-10-11(16)12(17)13(18)14(22-10)9-6-4-3-5-7-9/h3-7,10-14,16-18H,2,8H2,1H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyVSGKNBZINCBEBO-RGDJUOJXSA-N
MW312.32 g/mol
LogP0.38
Rot. Bonds4

About ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate

ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate (PubChem CID 71570396) has the molecular formula C15H20O7 and a molecular weight of 312.32 g/mol. Its IUPAC name is ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate.

Molecular Properties

Compound Nameethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate
PubChem CID71570396
Molecular FormulaC15H20O7
Molecular Weight312.32 g/mol
Exact Mass312.12
IUPAC Nameethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate
SMILESCCOC(=O)OC[C@H]1O[C@@H](c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H20O7/c1-2-20-15(19)21-8-10-11(16)12(17)13(18)14(22-10)9-6-4-3-5-7-9/h3-7,10-14,16-18H,2,8H2,1H3/t10-,11-,12+,13-,14+/m1/s1
InChIKeyVSGKNBZINCBEBO-RGDJUOJXSA-N
XLogP0.38
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate?
The IUPAC name of ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate (CID 71570396) is ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate.
What is the SMILES notation for ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate?
The canonical SMILES for ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate is CCOC(=O)OC[C@H]1O[C@@H](c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate?
The InChIKey is VSGKNBZINCBEBO-RGDJUOJXSA-N. The full InChI is InChI=1S/C15H20O7/c1-2-20-15(19)21-8-10-11(16)12(17)13(18)14(22-10)9-6-4-3-5-7-9/h3-7,10-14,16-18H,2,8H2,1H3/t10-,11-,12+,13-,14+/m1/s1.
What are the key properties of ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate?
ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate has a molecular weight of 312.32 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-phenyloxan-2-yl]methyl carbonate is sourced from PubChem (CID 71570396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).