[4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate

C16H30N2O8 — CID 70994853

IUPAC[4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1CC(OC(C)=O)C(N)C(OCCOCCOCCN)O1
InChIInChI=1S/C16H30N2O8/c1-11(19)24-10-13-9-14(25-12(2)20)15(18)16(26-13)23-8-7-22-6-5-21-4-3-17/h13-16H,3-10,17-18H2,1-2H3
InChIKeyJLNYVCWMBHEJKS-UHFFFAOYSA-N
MW378.42 g/mol
LogP-1.07
Rot. Bonds12

About [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate

[4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate (PubChem CID 70994853) has the molecular formula C16H30N2O8 and a molecular weight of 378.42 g/mol. Its IUPAC name is [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate.

Molecular Properties

Compound Name[4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate
PubChem CID70994853
Molecular FormulaC16H30N2O8
Molecular Weight378.42 g/mol
Exact Mass378.20
IUPAC Name[4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate
SMILESCC(=O)OCC1CC(OC(C)=O)C(N)C(OCCOCCOCCN)O1
InChIInChI=1S/C16H30N2O8/c1-11(19)24-10-13-9-14(25-12(2)20)15(18)16(26-13)23-8-7-22-6-5-21-4-3-17/h13-16H,3-10,17-18H2,1-2H3
InChIKeyJLNYVCWMBHEJKS-UHFFFAOYSA-N
XLogP-1.07
TPSA141.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(2S,5S)-4,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 144683652
[(4S,5R,6R)-4,5,6-triacetyloxyoxan-2-yl]methyl acetate
CID 170261667
[(2S,3R,4R,5S,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 98106301
[(2R,3R,4R,5R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 162711211
[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-(2-aminoethoxy)ethoxy]oxan-2-yl]methyl acetate;hydrochloride
CID 169492935
(5-acetamido-4-acetyloxy-6-methoxyoxan-2-yl)methyl acetate
CID 121353630
[4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]methyl acetate
CID 550322
[(2S,4S,5R,6S)-4,5-diacetyloxy-6-sulfanyloxan-2-yl]methyl acetate
CID 57268816
[3,4-diacetyloxy-6-[2-(2-aminoethoxy)ethoxy]-5-(2-oxopropylamino)oxan-2-yl]methyl acetate
CID 130402689
(4,6-diacetyloxy-5-azidooxan-2-yl)methyl acetate
CID 71182508
[(2R,3R,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]oxan-2-yl]methyl acetate
CID 118953030
[4-acetyloxy-6-(2-aminoethoxy)-3,5-dimethyloxan-2-yl]methyl acetate
CID 134167079

Frequently Asked Questions

What is the IUPAC name of [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate?
The IUPAC name of [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate (CID 70994853) is [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate.
What is the SMILES notation for [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate?
The canonical SMILES for [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate is CC(=O)OCC1CC(OC(C)=O)C(N)C(OCCOCCOCCN)O1.
What is the InChIKey of [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate?
The InChIKey is JLNYVCWMBHEJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O8/c1-11(19)24-10-13-9-14(25-12(2)20)15(18)16(26-13)23-8-7-22-6-5-21-4-3-17/h13-16H,3-10,17-18H2,1-2H3.
What are the key properties of [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate?
[4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate has a molecular weight of 378.42 g/mol, XLogP of -1.07, 12 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-acetyloxy-5-amino-6-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]oxan-2-yl]methyl acetate is sourced from PubChem (CID 70994853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).