N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide

C7H13NO5 — CID 102599934

IUPACN-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESCC(=O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13NO5/c1-3(9)8-7-6(12)5(11)4(10)2-13-7/h4-7,10-12H,2H2,1H3,(H,8,9)/t4-,5-,6-,7-/m1/s1
InChIKeyZMNJCNGELGRUIX-DBRKOABJSA-N
MW191.18 g/mol
LogP-2.44
Rot. Bonds1

About N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide

N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (PubChem CID 102599934) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
PubChem CID102599934
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC NameN-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
SMILESCC(=O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C7H13NO5/c1-3(9)8-7-6(12)5(11)4(10)2-13-7/h4-7,10-12H,2H2,1H3,(H,8,9)/t4-,5-,6-,7-/m1/s1
InChIKeyZMNJCNGELGRUIX-DBRKOABJSA-N
XLogP-2.44
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

butyl N-[(2R,3S,4R,5R)-3,4,5-trihydroxyoxan-2-yl]carbamate
CID 7614508
N-[4-acetamido-3-[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phenyl]acetamide
CID 7122436
[[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]amino]phosphonous acid
CID 70131002
N-[(3R,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 124600665
N-[(3S,4R)-4-hydroxyoxolan-3-yl]acetamide
CID 55300518
O-propyl N-[(2R,3S,4R,5S)-3,4,5-trihydroxyoxan-2-yl]carbamothioate
CID 26476171
N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 130787844
(2S,3S,4R,5S)-N,3,4,5-tetrahydroxyoxane-2-carboxamide
CID 173451491
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide;hydron
CID 155817620
N-ethyl-3,4-dihydroxyoxolane-2-carboxamide
CID 18427373
methyl (2R,3S,4S,5R)-3,4,5-trihydroxyoxane-2-carboxylate
CID 100924414
1-[(3R,5R)-3,4,5-trihydroxyoxan-2-yl]propan-2-one
CID 129131488

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The IUPAC name of N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide (CID 102599934) is N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is CC(=O)N[C@@H]1OC[C@@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
The InChIKey is ZMNJCNGELGRUIX-DBRKOABJSA-N. The full InChI is InChI=1S/C7H13NO5/c1-3(9)8-7-6(12)5(11)4(10)2-13-7/h4-7,10-12H,2H2,1H3,(H,8,9)/t4-,5-,6-,7-/m1/s1.
What are the key properties of N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide?
N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide has a molecular weight of 191.18 g/mol, XLogP of -2.44, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide is sourced from PubChem (CID 102599934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).