[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate

C30H34O7 — CID 10481313

IUPAC[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCO[C@H]1O[C@H](COC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H34O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,26-30H,18-21H2,1-2H3/t26-,27-,28+,29-,30+/m1/s1
InChIKeyJOGQBEZRWMHFPN-RLXMVLCYSA-N
MW506.60 g/mol
LogP4.68
Rot. Bonds12

About [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate

[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate (PubChem CID 10481313) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
PubChem CID10481313
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate
SMILESCO[C@H]1O[C@H](COC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1
InChIInChI=1S/C30H34O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,26-30H,18-21H2,1-2H3/t26-,27-,28+,29-,30+/m1/s1
InChIKeyJOGQBEZRWMHFPN-RLXMVLCYSA-N
XLogP4.68
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate?
The IUPAC name of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate (CID 10481313) is [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate.
What is the SMILES notation for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate?
The canonical SMILES for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate is CO[C@H]1O[C@H](COC(C)=O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate?
The InChIKey is JOGQBEZRWMHFPN-RLXMVLCYSA-N. The full InChI is InChI=1S/C30H34O7/c1-22(31)33-21-26-27(34-18-23-12-6-3-7-13-23)28(35-19-24-14-8-4-9-15-24)29(30(32-2)37-26)36-20-25-16-10-5-11-17-25/h3-17,26-30H,18-21H2,1-2H3/t26-,27-,28+,29-,30+/m1/s1.
What are the key properties of [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate?
[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate has a molecular weight of 506.60 g/mol, XLogP of 4.68, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methyl acetate is sourced from PubChem (CID 10481313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).