N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide

C11H17NO6 — CID 58177663

IUPACN-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide
SMILESC#CCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O
InChIInChI=1S/C11H17NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h1,7-11,13,15-16H,4-5H2,2H3,(H,12,14)/t7?,8?,9-,10+,11+/m0/s1
InChIKeyLNFVQZQJEGUHLW-NWUXKBAASA-N
MW259.26 g/mol
LogP-2.42
Rot. Bonds4

About N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide

N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide (PubChem CID 58177663) has the molecular formula C11H17NO6 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide
PubChem CID58177663
Molecular FormulaC11H17NO6
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC NameN-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide
SMILESC#CCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O
InChIInChI=1S/C11H17NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h1,7-11,13,15-16H,4-5H2,2H3,(H,12,14)/t7?,8?,9-,10+,11+/m0/s1
InChIKeyLNFVQZQJEGUHLW-NWUXKBAASA-N
XLogP-2.42
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-2.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,4R,5R)-4-hydroxy-6-(hydroxymethyl)-2-prop-2-ynoxy-5-[(2R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]acetamide
CID 58177667
N-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]oxan-3-yl]acetamide
CID 125033053
N-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]oxan-3-yl]acetamide
CID 99957977
N-[(2R,3R,4R,5S,6R)-2-ethoxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 7573789
N-[(2R,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-propoxyoxan-3-yl]acetamide
CID 118054664
N-[(2S,3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11608397
N-[(2R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]acetamide
CID 70905078
N-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy(213C)oxan-3-yl]acetamide
CID 11687336
N-[(2R,3S,5S)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-enoxyoxan-3-yl]acetamide
CID 89290998
N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(3-oxobutoxy)oxan-3-yl]acetamide
CID 170539960
N-[(2S,3S,4R,5S,6R)-2-(2-aminoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 68989394
N-[(2R,3R,4R,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4R,5S,6R)-3-acetamido-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-4,5-dihydroxyoxan-2-yl]oxymethyl]-2,4,5-trihydroxyoxan-3-yl]acetamide
CID 91854795

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide (CID 58177663) is N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide is C#CCO[C@@H]1OC(CO)[C@H](O)[C@H](O)C1NC(C)=O.
What is the InChIKey of N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide?
The InChIKey is LNFVQZQJEGUHLW-NWUXKBAASA-N. The full InChI is InChI=1S/C11H17NO6/c1-3-4-17-11-8(12-6(2)14)10(16)9(15)7(5-13)18-11/h1,7-11,13,15-16H,4-5H2,2H3,(H,12,14)/t7?,8?,9-,10+,11+/m0/s1.
What are the key properties of N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide?
N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide has a molecular weight of 259.26 g/mol, XLogP of -2.42, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-prop-2-ynoxyoxan-3-yl]acetamide is sourced from PubChem (CID 58177663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).