(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol

C32H34N2O5 — CID 159215203

IUPAC(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol
SMILESCC[C@H]1O[C@@](O)(c2ncc(OCc3ccccc3)nc2C)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H34N2O5/c1-3-27-29(37-21-25-15-9-5-10-16-25)31(38-22-26-17-11-6-12-18-26)32(35,39-27)30-23(2)34-28(19-33-30)36-20-24-13-7-4-8-14-24/h4-19,27,29,31,35H,3,20-22H2,1-2H3/t27-,29?,31+,32+/m1/s1
InChIKeySCUIFBFXOAYRKD-FFLWSMLMSA-N
MW526.63 g/mol
LogP5.49
Rot. Bonds11

About (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol

(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol (PubChem CID 159215203) has the molecular formula C32H34N2O5 and a molecular weight of 526.63 g/mol. Its IUPAC name is (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol.

Molecular Properties

Compound Name(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol
PubChem CID159215203
Molecular FormulaC32H34N2O5
Molecular Weight526.63 g/mol
Exact Mass526.25
IUPAC Name(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol
SMILESCC[C@H]1O[C@@](O)(c2ncc(OCc3ccccc3)nc2C)[C@@H](OCc2ccccc2)C1OCc1ccccc1
InChIInChI=1S/C32H34N2O5/c1-3-27-29(37-21-25-15-9-5-10-16-25)31(38-22-26-17-11-6-12-18-26)32(35,39-27)30-23(2)34-28(19-33-30)36-20-24-13-7-4-8-14-24/h4-19,27,29,31,35H,3,20-22H2,1-2H3/t27-,29?,31+,32+/m1/s1
InChIKeySCUIFBFXOAYRKD-FFLWSMLMSA-N
XLogP5.49
TPSA82.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.63
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol with MolForge

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Related Compounds

(3S,5R)-5-ethyl-2-(2-fluoro-6-phenylmethoxy-3-pyridinyl)-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 122543812
5-[(2S,3R,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-3-methyl-2-phenylmethoxypyrazine
CID 122543823
(3R,4R,5R)-5-ethyl-4-methoxy-3-phenylmethoxy-2-(sulfanylmethyl)oxolan-2-ol
CID 158397609
5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-ol
CID 20743032
3-[(2S,4S,5R)-5-ethyl-3,4-bis(phenylmethoxy)oxolan-2-yl]-2-fluoro-6-phenylmethoxypyridine
CID 118149175
2-(4-methylsulfanylimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 123881018
(5S,6S,7R,8R)-5,6,7,8-tetrakis(phenylmethoxy)-4-oxa-1,2-diazaspiro[2.5]oct-1-ene
CID 10886007
2-methyl-5-phenylmethoxypyrazine
CID 129054090
(3R,4S,5R,6R)-6-ethyl-5-methyl-3,4-bis(phenylmethoxy)oxan-2-ol
CID 67471371
(2R)-2-(4-aminoimidazo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolan-2-ol
CID 175943674
(3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)-2-(1,3-thiazol-2-yl)oxan-2-ol
CID 134908225
[(2R,3R,4S,5R,6R)-6-ethyl-2-methoxy-5-methyl-3,4-bis(phenylmethoxy)oxan-2-yl]-(4-phenylmethoxyphenyl)methanone
CID 58133498

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol?
The IUPAC name of (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol (CID 159215203) is (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol.
What is the SMILES notation for (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol?
The canonical SMILES for (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol is CC[C@H]1O[C@@](O)(c2ncc(OCc3ccccc3)nc2C)[C@@H](OCc2ccccc2)C1OCc1ccccc1.
What is the InChIKey of (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol?
The InChIKey is SCUIFBFXOAYRKD-FFLWSMLMSA-N. The full InChI is InChI=1S/C32H34N2O5/c1-3-27-29(37-21-25-15-9-5-10-16-25)31(38-22-26-17-11-6-12-18-26)32(35,39-27)30-23(2)34-28(19-33-30)36-20-24-13-7-4-8-14-24/h4-19,27,29,31,35H,3,20-22H2,1-2H3/t27-,29?,31+,32+/m1/s1.
What are the key properties of (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol?
(2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol has a molecular weight of 526.63 g/mol, XLogP of 5.49, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5R)-5-ethyl-2-(3-methyl-5-phenylmethoxypyrazin-2-yl)-3,4-bis(phenylmethoxy)oxolan-2-ol is sourced from PubChem (CID 159215203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).