N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide

C13H21NO6 — CID 505907

IUPACN-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESC=C(C)C1=C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C13H21NO6/c1-6(2)10-4-8(17)11(14-7(3)16)13(20-10)12(19)9(18)5-15/h4,8-9,11-13,15,17-19H,1,5H2,2-3H3,(H,14,16)/t8-,9+,11+,12+,13+/m0/s1
InChIKeyLNPXOJIAFVNGOD-IINAIABHSA-N
MW287.31 g/mol
LogP-1.58
Rot. Bonds5

About N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide

N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide (PubChem CID 505907) has the molecular formula C13H21NO6 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
PubChem CID505907
Molecular FormulaC13H21NO6
Molecular Weight287.31 g/mol
Exact Mass287.14
IUPAC NameN-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide
SMILESC=C(C)C1=C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
InChIInChI=1S/C13H21NO6/c1-6(2)10-4-8(17)11(14-7(3)16)13(20-10)12(19)9(18)5-15/h4,8-9,11-13,15,17-19H,1,5H2,2-3H3,(H,14,16)/t8-,9+,11+,12+,13+/m0/s1
InChIKeyLNPXOJIAFVNGOD-IINAIABHSA-N
XLogP-1.58
TPSA119.25 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 5-1.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide?
The IUPAC name of N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide (CID 505907) is N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide?
The canonical SMILES for N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide is C=C(C)C1=C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1.
What is the InChIKey of N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide?
The InChIKey is LNPXOJIAFVNGOD-IINAIABHSA-N. The full InChI is InChI=1S/C13H21NO6/c1-6(2)10-4-8(17)11(14-7(3)16)13(20-10)12(19)9(18)5-15/h4,8-9,11-13,15,17-19H,1,5H2,2-3H3,(H,14,16)/t8-,9+,11+,12+,13+/m0/s1.
What are the key properties of N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide?
N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide has a molecular weight of 287.31 g/mol, XLogP of -1.58, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3R,4S)-4-hydroxy-6-prop-1-en-2-yl-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-3-yl]acetamide is sourced from PubChem (CID 505907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).