(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol

C14H24N2O9 — CID 67556506

IUPAC(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)c1cnc(C[C@H](O)[C@@H](O)[C@H](O)CO)cn1
InChIInChI=1S/C14H24N2O9/c17-4-9(20)12(23)8(19)1-6-2-16-7(3-15-6)11(22)14(25)13(24)10(21)5-18/h2-3,8-14,17-25H,1,4-5H2/t8-,9+,10+,11-,12+,13-,14-/m0/s1
InChIKeySZSWJMKSAIRZRM-QSAXWINLSA-N
MW364.35 g/mol
LogP-4.80
Rot. Bonds10

About (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol

(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol (PubChem CID 67556506) has the molecular formula C14H24N2O9 and a molecular weight of 364.35 g/mol. Its IUPAC name is (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol.

Molecular Properties

Compound Name(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol
PubChem CID67556506
Molecular FormulaC14H24N2O9
Molecular Weight364.35 g/mol
Exact Mass364.15
IUPAC Name(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol
SMILESOC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)c1cnc(C[C@H](O)[C@@H](O)[C@H](O)CO)cn1
InChIInChI=1S/C14H24N2O9/c17-4-9(20)12(23)8(19)1-6-2-16-7(3-15-6)11(22)14(25)13(24)10(21)5-18/h2-3,8-14,17-25H,1,4-5H2/t8-,9+,10+,11-,12+,13-,14-/m0/s1
InChIKeySZSWJMKSAIRZRM-QSAXWINLSA-N
XLogP-4.80
TPSA207.85 Ų
H-Bond Donors9
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500364.35
LogP ≤ 5-4.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1011

Analyze (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol with MolForge

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Related Compounds

1-[5-(1,2,3,4-tetrahydroxybutyl)pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 11956719
(1R,2S,3R)-1-[5-[(3S)-3,4-dihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 20684252
(3S)-3,4-dihydroxy-1-[5-[(1R,2S,3R)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butan-2-one
CID 11077495
2-[(1R,2S,3R)-1,3,4-trihydroxy-1-[5-[(2S,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butan-2-yl]oxyacetic acid
CID 20684182
(1S,2S,3S)-1-[6-[(1S,2S,3S)-1,2,3,4-tetrahydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol
CID 18712850
(2S,3S,4S)-2,4-diethoxy-4-[5-[(2S,3S)-3-ethoxy-2,4-dihydroxybutyl]pyrazin-2-yl]butane-1,3-diol
CID 20684292
(2R,3S)-4-[5-[1-[[(2R)-butan-2-yl]amino]butyl]pyrazin-2-yl]butane-1,2,3-triol
CID 70266619
(1R)-1-[5-(2-hydroxyethyl)pyrazin-2-yl]ethane-1,2-diol
CID 57346401
(2R,3S,4R)-5-[5-(bromomethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol
CID 11077296
(2R,3S,4R)-5-[5-(chloromethyl)-1,2-oxazol-3-yl]pentane-1,2,3,4-tetrol
CID 11043207
[4-[5-[4-(2-cyclohexylacetyl)oxy-1,2,3-trihydroxybutyl]pyrazin-2-yl]-2,3-dihydroxybutyl] 2-cyclohexylacetate
CID 23525505
(1S,2R,3S,4R)-1-(6-pentylpyrazin-2-yl)pentane-1,2,3,4,5-pentol
CID 57092020

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol?
The IUPAC name of (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol (CID 67556506) is (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol.
What is the SMILES notation for (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol?
The canonical SMILES for (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol is OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)c1cnc(C[C@H](O)[C@@H](O)[C@H](O)CO)cn1.
What is the InChIKey of (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol?
The InChIKey is SZSWJMKSAIRZRM-QSAXWINLSA-N. The full InChI is InChI=1S/C14H24N2O9/c17-4-9(20)12(23)8(19)1-6-2-16-7(3-15-6)11(22)14(25)13(24)10(21)5-18/h2-3,8-14,17-25H,1,4-5H2/t8-,9+,10+,11-,12+,13-,14-/m0/s1.
What are the key properties of (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol?
(1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol has a molecular weight of 364.35 g/mol, XLogP of -4.80, 10 rotatable bonds, 9 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S,4R)-1-[5-[(2S,3R,4R)-2,3,4,5-tetrahydroxypentyl]pyrazin-2-yl]pentane-1,2,3,4,5-pentol is sourced from PubChem (CID 67556506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).