(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

C32H38O6 — CID 11092535

IUPAC(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESC[C@@H]1C[C@H]1CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C32H38O6/c1-23-17-27(23)21-37-32-29(33)31(36-20-26-15-9-4-10-16-26)30(35-19-25-13-7-3-8-14-25)28(38-32)22-34-18-24-11-5-2-6-12-24/h2-16,23,27-33H,17-22H2,1H3/t23-,27+,28-,29-,30-,31-,32+/m1/s1
InChIKeyNMIQKSHXYHGPBL-UDYKOTGISA-N
MW518.65 g/mol
LogP5.13
Rot. Bonds13

About (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol

(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (PubChem CID 11092535) has the molecular formula C32H38O6 and a molecular weight of 518.65 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
PubChem CID11092535
Molecular FormulaC32H38O6
Molecular Weight518.65 g/mol
Exact Mass518.27
IUPAC Name(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
SMILESC[C@@H]1C[C@H]1CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C32H38O6/c1-23-17-27(23)21-37-32-29(33)31(36-20-26-15-9-4-10-16-26)30(35-19-25-13-7-3-8-14-25)28(38-32)22-34-18-24-11-5-2-6-12-24/h2-16,23,27-33H,17-22H2,1H3/t23-,27+,28-,29-,30-,31-,32+/m1/s1
InChIKeyNMIQKSHXYHGPBL-UDYKOTGISA-N
XLogP5.13
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.65
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol 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

(5R)-2-[[(2R)-oxiran-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 134865888
(2R,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 101487337
(2R,3R,4S,5R)-2,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-3-ol
CID 90477385
(2R,3R,4R,5R,6R)-2-[[(2R)-3,3-dimethylaziridin-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 100926714
(2S,3S,4S,5R,6R)-2-methoxy-4-[[(2R,3R,4S,5R,6S)-6-methoxy-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-5-phenylmethoxy-6-(phenylmethoxymethyl)oxan-3-ol
CID 102027655
(5R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-2-prop-2-enoxyoxan-3-ol
CID 134865887
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3S,4R,5R,6R)-2-[[(2R,3R,4S,5S,6R)-6-ethylsulfanyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol
CID 11115680
(1S,2S,3R,4S,5R,6S)-2,3,4,5-tetrakis(phenylmethoxy)-6-[(2R,3S,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxycyclohexan-1-ol
CID 101187763
(2R,3R,4S,5R,6R)-2-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-4-ol
CID 10863561
(2S,3R,4S,5S,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 123970736
(3S,4R,5R,6R)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxane-2,3-diol
CID 10950430

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol (CID 11092535) is (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is C[C@@H]1C[C@H]1CO[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
The InChIKey is NMIQKSHXYHGPBL-UDYKOTGISA-N. The full InChI is InChI=1S/C32H38O6/c1-23-17-27(23)21-37-32-29(33)31(36-20-26-15-9-4-10-16-26)30(35-19-25-13-7-3-8-14-25)28(38-32)22-34-18-24-11-5-2-6-12-24/h2-16,23,27-33H,17-22H2,1H3/t23-,27+,28-,29-,30-,31-,32+/m1/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol?
(2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol has a molecular weight of 518.65 g/mol, XLogP of 5.13, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-[[(1R,2R)-2-methylcyclopropyl]methoxy]-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-3-ol is sourced from PubChem (CID 11092535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).