(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid

C34H34O7 — CID 56606677

IUPAC(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
SMILESO=C(O)[C@H]1OC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H34O7/c35-33(36)31-29(37-21-25-13-5-1-6-14-25)30(38-22-26-15-7-2-8-16-26)32(39-23-27-17-9-3-10-18-27)34(41-31)40-24-28-19-11-4-12-20-28/h1-20,29-32,34H,21-24H2,(H,35,36)/t29-,30-,31-,32+,34?/m0/s1
InChIKeyDZTFRMXHQHBJOQ-UQZXYJODSA-N
MW554.64 g/mol
LogP5.77
Rot. Bonds13

About (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid

(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid (PubChem CID 56606677) has the molecular formula C34H34O7 and a molecular weight of 554.64 g/mol. Its IUPAC name is (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid.

Molecular Properties

Compound Name(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
PubChem CID56606677
Molecular FormulaC34H34O7
Molecular Weight554.64 g/mol
Exact Mass554.23
IUPAC Name(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid
SMILESO=C(O)[C@H]1OC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C34H34O7/c35-33(36)31-29(37-21-25-13-5-1-6-14-25)30(38-22-26-15-7-2-8-16-26)32(39-23-27-17-9-3-10-18-27)34(41-31)40-24-28-19-11-4-12-20-28/h1-20,29-32,34H,21-24H2,(H,35,36)/t29-,30-,31-,32+,34?/m0/s1
InChIKeyDZTFRMXHQHBJOQ-UQZXYJODSA-N
XLogP5.77
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.64
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-prop-2-enoxyoxane-2-carboxylic acid
CID 14393012
1-[(2S,3S,4S,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]ethanone
CID 68987679
(2S,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2-carboxylic acid
CID 102396248
benzyl (2S,3R,4R,5S,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxane-2-carboxylate
CID 171395752
(2S,3S,4R,5S)-3,4,5-tris(phenylmethoxy)oxolan-2-ol
CID 97267896
2-methoxy-1-[(2S,3S,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]ethanone
CID 71619662
[(2S,3R,4S,5S,6R)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methyl acetate
CID 91699912
(2S,3R,4R,5S)-N-(2-methylsulfanylphenyl)-3,4,5-tris(phenylmethoxy)oxolane-2-carboxamide
CID 177442623
(2S,3S,4S,5R,6S)-5-benzoyloxy-6-(4-methoxyphenoxy)-3,4-bis(phenylmethoxy)oxane-2-carboxylic acid
CID 11801432
(3R,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-phenylmethoxyoxane-2-carboxylic acid
CID 23820291
[(2R)-1-oxo-1-[[(2S)-1-phenylpropan-2-yl]amino]propan-2-yl] 3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylate
CID 140635567
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid?
The IUPAC name of (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid (CID 56606677) is (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid.
What is the SMILES notation for (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid?
The canonical SMILES for (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid is O=C(O)[C@H]1OC(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid?
The InChIKey is DZTFRMXHQHBJOQ-UQZXYJODSA-N. The full InChI is InChI=1S/C34H34O7/c35-33(36)31-29(37-21-25-13-5-1-6-14-25)30(38-22-26-15-7-2-8-16-26)32(39-23-27-17-9-3-10-18-27)34(41-31)40-24-28-19-11-4-12-20-28/h1-20,29-32,34H,21-24H2,(H,35,36)/t29-,30-,31-,32+,34?/m0/s1.
What are the key properties of (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid?
(2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid has a molecular weight of 554.64 g/mol, XLogP of 5.77, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-3,4,5,6-tetrakis(phenylmethoxy)oxane-2-carboxylic acid is sourced from PubChem (CID 56606677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).