[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate

C15H20N2O9 — CID 20821364

IUPAC[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate
SMILESCOc1ccnc(C(=O)NC2C(O)OC(CO)C(O)C2OC(C)=O)c1O
InChIInChI=1S/C15H20N2O9/c1-6(19)25-13-10(15(23)26-8(5-18)12(13)21)17-14(22)9-11(20)7(24-2)3-4-16-9/h3-4,8,10,12-13,15,18,20-21,23H,5H2,1-2H3,(H,17,22)
InChIKeyDHHOBKRYUXBRIY-UHFFFAOYSA-N
MW372.33 g/mol
LogP-2.10
Rot. Bonds5

About [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate

[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate (PubChem CID 20821364) has the molecular formula C15H20N2O9 and a molecular weight of 372.33 g/mol. Its IUPAC name is [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate.

Molecular Properties

Compound Name[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate
PubChem CID20821364
Molecular FormulaC15H20N2O9
Molecular Weight372.33 g/mol
Exact Mass372.12
IUPAC Name[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate
SMILESCOc1ccnc(C(=O)NC2C(O)OC(CO)C(O)C2OC(C)=O)c1O
InChIInChI=1S/C15H20N2O9/c1-6(19)25-13-10(15(23)26-8(5-18)12(13)21)17-14(22)9-11(20)7(24-2)3-4-16-9/h3-4,8,10,12-13,15,18,20-21,23H,5H2,1-2H3,(H,17,22)
InChIKeyDHHOBKRYUXBRIY-UHFFFAOYSA-N
XLogP-2.10
TPSA167.67 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

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Related Compounds

[(2S,3R,4R,5S,6S)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 40592500
[(2R,3S,4S,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 95304130
[(3S,4R)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 71312900
3-hydroxy-4-methoxy-N-[(2S)-3-oxobutan-2-yl]pyridine-2-carboxamide
CID 163574923
[(2R,3R,4S,5S,6R)-3-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] acetate
CID 56627042
N-[(3R)-2,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-3-yl]acetamide
CID 174192360
[4-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-2,2,6,6-tetramethylcyclohexyl] 3-methylbutanoate
CID 18681983
2-[(3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyprop-2-enoic acid
CID 157320581
[(3S,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl] acetate
CID 56621960
[(2S,3R,4R,5S,6S)-2-[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] acetate
CID 156615971
[(2S,3R,4S,5S,6S)-3-acetamido-2,5-dihydroxy-6-(trityloxymethyl)oxan-4-yl] acetate
CID 171126482
[(2R,3S,4S,5S,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-naphthalen-1-yloxyoxan-4-yl] acetate
CID 124744758

Frequently Asked Questions

What is the IUPAC name of [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate?
The IUPAC name of [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate (CID 20821364) is [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate.
What is the SMILES notation for [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate?
The canonical SMILES for [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate is COc1ccnc(C(=O)NC2C(O)OC(CO)C(O)C2OC(C)=O)c1O.
What is the InChIKey of [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate?
The InChIKey is DHHOBKRYUXBRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O9/c1-6(19)25-13-10(15(23)26-8(5-18)12(13)21)17-14(22)9-11(20)7(24-2)3-4-16-9/h3-4,8,10,12-13,15,18,20-21,23H,5H2,1-2H3,(H,17,22).
What are the key properties of [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate?
[2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate has a molecular weight of 372.33 g/mol, XLogP of -2.10, 5 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dihydroxy-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-(hydroxymethyl)oxan-4-yl] acetate is sourced from PubChem (CID 20821364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).