(2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

C19H24N2O5 — CID 71057705

IUPAC(2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCc1ccc(Cc2cncc([C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
InChIInChI=1S/C19H24N2O5/c1-2-11-3-5-12(6-4-11)7-13-8-20-9-14(21-13)19-18(25)17(24)16(23)15(10-22)26-19/h3-6,8-9,15-19,22-25H,2,7,10H2,1H3/t15?,16-,17+,18-,19+/m1/s1
InChIKeyQPCNMJLAASYHMY-TZOQOTQKSA-N
MW360.41 g/mol
LogP0.14
Rot. Bonds5

About (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 71057705) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID71057705
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name(2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCCc1ccc(Cc2cncc([C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1
InChIInChI=1S/C19H24N2O5/c1-2-11-3-5-12(6-4-11)7-13-8-20-9-14(21-13)19-18(25)17(24)16(23)15(10-22)26-19/h3-6,8-9,15-19,22-25H,2,7,10H2,1H3/t15?,16-,17+,18-,19+/m1/s1
InChIKeyQPCNMJLAASYHMY-TZOQOTQKSA-N
XLogP0.14
TPSA115.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4S,5S,6R)-2-[5-chloro-4-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 46927885
(2R,3R,4S,5S,6R)-2-[4-[(4-ethylphenyl)methyl]-5-methylthiophen-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 53472875
(3R,5S)-2-[4-[(4-ethylphenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 66625093
(2S,3R,4R,5S,6R)-2-[3-[(4-ethylphenyl)methyl]-4-ethynylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 139468409
(2R,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69014613
(2S,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10109940
(2S,3R,4R,5S,6R)-2-[4-amino-3-[(4-ethylphenyl)methyl]-5-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89260911
(3R,5S)-2-[2-[(4-ethylphenyl)methyl]anilino]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71017732
2-[5-[(4-ethylphenyl)methyl]tetrazol-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 44814808
2-(hydroxymethyl)-5-pyrimidin-5-yloxolane-3,4-diol
CID 20513127
(2S,3R,4S,5S,6R)-2-[2-[(4-ethylphenyl)methyl]-6-methylphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10293636
(3R,4R,5S,6R)-2-(2-amino-1,3-thiazol-4-yl)-6-(hydroxymethyl)oxane-3,4,5-triol
CID 88737553

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 71057705) is (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is CCc1ccc(Cc2cncc([C@@H]3OC(CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1.
What is the InChIKey of (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is QPCNMJLAASYHMY-TZOQOTQKSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-2-11-3-5-12(6-4-11)7-13-8-20-9-14(21-13)19-18(25)17(24)16(23)15(10-22)26-19/h3-6,8-9,15-19,22-25H,2,7,10H2,1H3/t15?,16-,17+,18-,19+/m1/s1.
What are the key properties of (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 360.41 g/mol, XLogP of 0.14, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-2-[6-[(4-ethylphenyl)methyl]pyrazin-2-yl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 71057705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).