[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol

C31H42N2O6 — CID 135030314

IUPAC[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C31H42N2O6/c1-5-35-30-24(32-31(36-6-2)27(33-30)21(3)4)17-25-28(37-19-22-13-9-7-10-14-22)29(26(18-34)39-25)38-20-23-15-11-8-12-16-23/h7-16,21,24-29,34H,5-6,17-20H2,1-4H3/t24-,25+,26+,27+,28+,29+/m0/s1
InChIKeyWAVXGVOQNALKTR-ZHMMVFJOSA-N
MW538.69 g/mol
LogP4.58
Rot. Bonds12

About [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol

[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol (PubChem CID 135030314) has the molecular formula C31H42N2O6 and a molecular weight of 538.69 g/mol. Its IUPAC name is [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
PubChem CID135030314
Molecular FormulaC31H42N2O6
Molecular Weight538.69 g/mol
Exact Mass538.30
IUPAC Name[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
SMILESCCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1
InChIInChI=1S/C31H42N2O6/c1-5-35-30-24(32-31(36-6-2)27(33-30)21(3)4)17-25-28(37-19-22-13-9-7-10-14-22)29(26(18-34)39-25)38-20-23-15-11-8-12-16-23/h7-16,21,24-29,34H,5-6,17-20H2,1-4H3/t24-,25+,26+,27+,28+,29+/m0/s1
InChIKeyWAVXGVOQNALKTR-ZHMMVFJOSA-N
XLogP4.58
TPSA91.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.69
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol 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

(1S,2R)-1-[(4S)-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl]hexadecane-1,2-diol
CID 11304235
(3R)-5-azido-3,4-bis(phenylmethoxy)hexane-1,2,6-triol
CID 134845722
[(2S,5S)-3-azido-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]methanol
CID 134866272
(1R,2S)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbut-3-en-1-ol
CID 134931424
(1S,2S)-1-[(4S,5S)-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-2-methylbut-3-en-1-ol
CID 134931490
[(2S,3R)-3-[(1S,2R,3R)-3-azido-1,2,4-tris(phenylmethoxy)butyl]oxiran-2-yl]methanol
CID 134936540
(2R,3R,5R)-5-azido-1,3,4-tris(phenylmethoxy)hexadec-15-en-2-ol
CID 134937512
(4R)-2-azido-3,4,6-tris(phenylmethoxy)hexane-1,5-diol
CID 134973069
(2R,3R,4S,5R)-2,3-diazido-4,6-bis(phenylmethoxy)hexane-1,5-diol
CID 135010095
[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanamine
CID 135029895
[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 135029896
[(2R,3R,4R,5R)-5-[[(2R,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol
CID 135030003

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The IUPAC name of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol (CID 135030314) is [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol.
What is the SMILES notation for [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The canonical SMILES for [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol is CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[C@H]1O[C@H](CO)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1.
What is the InChIKey of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
The InChIKey is WAVXGVOQNALKTR-ZHMMVFJOSA-N. The full InChI is InChI=1S/C31H42N2O6/c1-5-35-30-24(32-31(36-6-2)27(33-30)21(3)4)17-25-28(37-19-22-13-9-7-10-14-22)29(26(18-34)39-25)38-20-23-15-11-8-12-16-23/h7-16,21,24-29,34H,5-6,17-20H2,1-4H3/t24-,25+,26+,27+,28+,29+/m0/s1.
What are the key properties of [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol?
[(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol has a molecular weight of 538.69 g/mol, XLogP of 4.58, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4R,5R)-5-[[(2S,5R)-3,6-diethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]methyl]-3,4-bis(phenylmethoxy)oxolan-2-yl]methanol is sourced from PubChem (CID 135030314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).