[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

C10H19NO6 — CID 167273252

IUPAC[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H19NO6/c1-2-3-11-10(15)17-8-4-6(13)9(14)7(5-12)16-8/h6-9,12-14H,2-5H2,1H3,(H,11,15)/t6-,7-,8+,9-/m1/s1
InChIKeyMCTRQYVEXGBXON-LURQLKTLSA-N
MW249.26 g/mol
LogP-1.05
Rot. Bonds4

About [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate

[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate (PubChem CID 167273252) has the molecular formula C10H19NO6 and a molecular weight of 249.26 g/mol. Its IUPAC name is [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate.

Molecular Properties

Compound Name[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
PubChem CID167273252
Molecular FormulaC10H19NO6
Molecular Weight249.26 g/mol
Exact Mass249.12
IUPAC Name[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate
SMILESCCCNC(=O)O[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1
InChIInChI=1S/C10H19NO6/c1-2-3-11-10(15)17-8-4-6(13)9(14)7(5-12)16-8/h6-9,12-14H,2-5H2,1H3,(H,11,15)/t6-,7-,8+,9-/m1/s1
InChIKeyMCTRQYVEXGBXON-LURQLKTLSA-N
XLogP-1.05
TPSA108.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The IUPAC name of [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate (CID 167273252) is [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate.
What is the SMILES notation for [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The canonical SMILES for [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate is CCCNC(=O)O[C@H]1C[C@@H](O)[C@@H](O)[C@@H](CO)O1.
What is the InChIKey of [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
The InChIKey is MCTRQYVEXGBXON-LURQLKTLSA-N. The full InChI is InChI=1S/C10H19NO6/c1-2-3-11-10(15)17-8-4-6(13)9(14)7(5-12)16-8/h6-9,12-14H,2-5H2,1H3,(H,11,15)/t6-,7-,8+,9-/m1/s1.
What are the key properties of [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate?
[(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate has a molecular weight of 249.26 g/mol, XLogP of -1.05, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] N-propylcarbamate is sourced from PubChem (CID 167273252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).