(3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate

C14H21NO10 — CID 566955

IUPAC(3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(N)=O)C1OC(C)=O
InChIInChI=1S/C14H21NO10/c1-6(16)21-5-9-10(22-7(2)17)11(25-14(15)19)12(23-8(3)18)13(20-4)24-9/h9-13H,5H2,1-4H3,(H2,15,19)
InChIKeyCAPZFXMCIJTCHR-UHFFFAOYSA-N
MW363.32 g/mol
LogP-0.75
Rot. Bonds6

About (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate

(3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate (PubChem CID 566955) has the molecular formula C14H21NO10 and a molecular weight of 363.32 g/mol. Its IUPAC name is (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate.

Molecular Properties

Compound Name(3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate
PubChem CID566955
Molecular FormulaC14H21NO10
Molecular Weight363.32 g/mol
Exact Mass363.12
IUPAC Name(3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate
SMILESCOC1OC(COC(C)=O)C(OC(C)=O)C(OC(N)=O)C1OC(C)=O
InChIInChI=1S/C14H21NO10/c1-6(16)21-5-9-10(22-7(2)17)11(25-14(15)19)12(23-8(3)18)13(20-4)24-9/h9-13H,5H2,1-4H3,(H2,15,19)
InChIKeyCAPZFXMCIJTCHR-UHFFFAOYSA-N
XLogP-0.75
TPSA149.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.32
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate?
The IUPAC name of (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate (CID 566955) is (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate.
What is the SMILES notation for (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate?
The canonical SMILES for (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate is COC1OC(COC(C)=O)C(OC(C)=O)C(OC(N)=O)C1OC(C)=O.
What is the InChIKey of (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate?
The InChIKey is CAPZFXMCIJTCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO10/c1-6(16)21-5-9-10(22-7(2)17)11(25-14(15)19)12(23-8(3)18)13(20-4)24-9/h9-13H,5H2,1-4H3,(H2,15,19).
What are the key properties of (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate?
(3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate has a molecular weight of 363.32 g/mol, XLogP of -0.75, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diacetyloxy-4-carbamoyloxy-6-methoxyoxan-2-yl)methyl acetate is sourced from PubChem (CID 566955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).