N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide

C9H17NO5 — CID 156818462

IUPACN-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c1-5(12)10-2-6-4-15-7(3-11)9(14)8(6)13/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)/t6-,7-,8-,9+/m1/s1
InChIKeyFJCBLHSXMQOCPL-BGZDPUMWSA-N
MW219.24 g/mol
LogP-2.15
Rot. Bonds3

About N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide

N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide (PubChem CID 156818462) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide
PubChem CID156818462
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC NameN-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C9H17NO5/c1-5(12)10-2-6-4-15-7(3-11)9(14)8(6)13/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)/t6-,7-,8-,9+/m1/s1
InChIKeyFJCBLHSXMQOCPL-BGZDPUMWSA-N
XLogP-2.15
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide (CID 156818462) is N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CO[C@H](CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide?
The InChIKey is FJCBLHSXMQOCPL-BGZDPUMWSA-N. The full InChI is InChI=1S/C9H17NO5/c1-5(12)10-2-6-4-15-7(3-11)9(14)8(6)13/h6-9,11,13-14H,2-4H2,1H3,(H,10,12)/t6-,7-,8-,9+/m1/s1.
What are the key properties of N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide?
N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide has a molecular weight of 219.24 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]methyl]acetamide is sourced from PubChem (CID 156818462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).