(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate

C12H17NO6 — CID 66806594

IUPAC(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate
SMILESCC(=O)NC1C=C(OC(C)=O)C(COC(C)=O)OC1
InChIInChI=1S/C12H17NO6/c1-7(14)13-10-4-11(19-9(3)16)12(18-5-10)6-17-8(2)15/h4,10,12H,5-6H2,1-3H3,(H,13,14)
InChIKeyDPIZKLNUHOLYRY-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.10
Rot. Bonds4

About (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate

(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate (PubChem CID 66806594) has the molecular formula C12H17NO6 and a molecular weight of 271.27 g/mol. Its IUPAC name is (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate.

Molecular Properties

Compound Name(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate
PubChem CID66806594
Molecular FormulaC12H17NO6
Molecular Weight271.27 g/mol
Exact Mass271.11
IUPAC Name(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate
SMILESCC(=O)NC1C=C(OC(C)=O)C(COC(C)=O)OC1
InChIInChI=1S/C12H17NO6/c1-7(14)13-10-4-11(19-9(3)16)12(18-5-10)6-17-8(2)15/h4,10,12H,5-6H2,1-3H3,(H,13,14)
InChIKeyDPIZKLNUHOLYRY-UHFFFAOYSA-N
XLogP-0.10
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate?
The IUPAC name of (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate (CID 66806594) is (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate.
What is the SMILES notation for (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate?
The canonical SMILES for (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate is CC(=O)NC1C=C(OC(C)=O)C(COC(C)=O)OC1.
What is the InChIKey of (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate?
The InChIKey is DPIZKLNUHOLYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO6/c1-7(14)13-10-4-11(19-9(3)16)12(18-5-10)6-17-8(2)15/h4,10,12H,5-6H2,1-3H3,(H,13,14).
What are the key properties of (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate?
(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate has a molecular weight of 271.27 g/mol, XLogP of -0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate is sourced from PubChem (CID 66806594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).