(2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate

C17H21NO8 — CID 73175456

IUPAC(2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate
SMILESCC(=O)OC1OC(C(N)=O)C(O)C(OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C17H21NO8/c1-9(19)24-15-13(23-8-11-6-4-3-5-7-11)12(21)14(16(18)22)26-17(15)25-10(2)20/h3-7,12-15,17,21H,8H2,1-2H3,(H2,18,22)
InChIKeyWPPNGTHUENTGSV-UHFFFAOYSA-N
MW367.35 g/mol
LogP-0.36
Rot. Bonds6

About (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate

(2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate (PubChem CID 73175456) has the molecular formula C17H21NO8 and a molecular weight of 367.35 g/mol. Its IUPAC name is (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate.

Molecular Properties

Compound Name(2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate
PubChem CID73175456
Molecular FormulaC17H21NO8
Molecular Weight367.35 g/mol
Exact Mass367.13
IUPAC Name(2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate
SMILESCC(=O)OC1OC(C(N)=O)C(O)C(OCc2ccccc2)C1OC(C)=O
InChIInChI=1S/C17H21NO8/c1-9(19)24-15-13(23-8-11-6-4-3-5-7-11)12(21)14(16(18)22)26-17(15)25-10(2)20/h3-7,12-15,17,21H,8H2,1-2H3,(H2,18,22)
InChIKeyWPPNGTHUENTGSV-UHFFFAOYSA-N
XLogP-0.36
TPSA134.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.35
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate?
The IUPAC name of (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate (CID 73175456) is (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate.
What is the SMILES notation for (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate?
The canonical SMILES for (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate is CC(=O)OC1OC(C(N)=O)C(O)C(OCc2ccccc2)C1OC(C)=O.
What is the InChIKey of (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate?
The InChIKey is WPPNGTHUENTGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO8/c1-9(19)24-15-13(23-8-11-6-4-3-5-7-11)12(21)14(16(18)22)26-17(15)25-10(2)20/h3-7,12-15,17,21H,8H2,1-2H3,(H2,18,22).
What are the key properties of (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate?
(2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate has a molecular weight of 367.35 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyloxy-6-carbamoyl-5-hydroxy-4-phenylmethoxyoxan-3-yl) acetate is sourced from PubChem (CID 73175456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).