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

C30H34O7 — CID 100978536

IUPAC3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
SMILESCO[C@H]1O[C@H](CCC(=O)O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C30H34O7/c1-33-30-29(36-21-24-15-9-4-10-16-24)28(35-20-23-13-7-3-8-14-23)27(25(37-30)17-18-26(31)32)34-19-22-11-5-2-6-12-22/h2-16,25,27-30H,17-21H2,1H3,(H,31,32)/t25-,27-,28+,29+,30+/m1/s1
InChIKeySNBBUURHRONPCF-WJBPYKOESA-N
MW506.60 g/mol
LogP4.98
Rot. Bonds13

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

3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid (PubChem CID 100978536) has the molecular formula C30H34O7 and a molecular weight of 506.60 g/mol. Its IUPAC name is 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
PubChem CID100978536
Molecular FormulaC30H34O7
Molecular Weight506.60 g/mol
Exact Mass506.23
IUPAC Name3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid
SMILESCO[C@H]1O[C@H](CCC(=O)O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C30H34O7/c1-33-30-29(36-21-24-15-9-4-10-16-24)28(35-20-23-13-7-3-8-14-23)27(25(37-30)17-18-26(31)32)34-19-22-11-5-2-6-12-22/h2-16,25,27-30H,17-21H2,1H3,(H,31,32)/t25-,27-,28+,29+,30+/m1/s1
InChIKeySNBBUURHRONPCF-WJBPYKOESA-N
XLogP4.98
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid with MolForge

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Related Compounds

3-[(3S,6S)-4-(carboxymethyl)-6-methoxy-3,5-bis(phenylmethoxy)oxan-2-yl]propanoic acid
CID 134866369
2-[(2R,3R,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanol
CID 67629587
[(2R,3R,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methanol
CID 23245862
3-[(2R,3S,4R,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]propanoic acid
CID 135018017
(2S,3R,4S,5R,6S)-2-(iodomethyl)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 11330611
[(2R,3R,4R)-5-methoxy-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 101100529
(2R,3S,4S,5R,6S)-2-ethyl-6-methoxy-3,4,5-tris(phenylmethoxy)oxane
CID 102391808
(2S,3S,4S,5R,6R)-2-methoxy-6-(methoxymethyl)-3,4,5-tris(phenylmethoxy)oxane
CID 67155731
(2S,3S,4S,5S,6S)-2-methoxy-6-[[(2S,3S,4R,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methylsulfanylmethyl]-3,4,5-tris(phenylmethoxy)oxane
CID 50906249
diazanium;2-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethyl-dioxido-oxo-lambda5-phosphane
CID 11365196
(2S,3S,4S,5S)-2-methoxy-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane
CID 66509215
N-[[(2R,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]acetamide
CID 90113504

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid?
The IUPAC name of 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid (CID 100978536) is 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid.
What is the SMILES notation for 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid?
The canonical SMILES for 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid is CO[C@H]1O[C@H](CCC(=O)O)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid?
The InChIKey is SNBBUURHRONPCF-WJBPYKOESA-N. The full InChI is InChI=1S/C30H34O7/c1-33-30-29(36-21-24-15-9-4-10-16-24)28(35-20-23-13-7-3-8-14-23)27(25(37-30)17-18-26(31)32)34-19-22-11-5-2-6-12-22/h2-16,25,27-30H,17-21H2,1H3,(H,31,32)/t25-,27-,28+,29+,30+/m1/s1.
What are the key properties of 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid?
3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid has a molecular weight of 506.60 g/mol, XLogP of 4.98, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,3R,4S,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]propanoic acid is sourced from PubChem (CID 100978536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).