13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one

C14H15NO5 — CID 155807601

IUPAC13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one
SMILESO=C1CCC23OC(c4ccccc4N12)C(O)C(O)C3O
InChIInChI=1S/C14H15NO5/c16-9-5-6-14-13(19)11(18)10(17)12(20-14)7-3-1-2-4-8(7)15(9)14/h1-4,10-13,17-19H,5-6H2
InChIKeyBTWOCTBBLDAPGF-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.32
Rot. Bonds

About 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one

13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one (PubChem CID 155807601) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one.

Molecular Properties

Compound Name13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one
PubChem CID155807601
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one
SMILESO=C1CCC23OC(c4ccccc4N12)C(O)C(O)C3O
InChIInChI=1S/C14H15NO5/c16-9-5-6-14-13(19)11(18)10(17)12(20-14)7-3-1-2-4-8(7)15(9)14/h1-4,10-13,17-19H,5-6H2
InChIKeyBTWOCTBBLDAPGF-UHFFFAOYSA-N
XLogP-0.32
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one?
The IUPAC name of 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one (CID 155807601) is 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one.
What is the SMILES notation for 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one?
The canonical SMILES for 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one is O=C1CCC23OC(c4ccccc4N12)C(O)C(O)C3O.
What is the InChIKey of 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one?
The InChIKey is BTWOCTBBLDAPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5/c16-9-5-6-14-13(19)11(18)10(17)12(20-14)7-3-1-2-4-8(7)15(9)14/h1-4,10-13,17-19H,5-6H2.
What are the key properties of 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one?
13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one has a molecular weight of 277.28 g/mol, XLogP of -0.32, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13,14,15-trihydroxy-16-oxa-5-azatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-trien-4-one is sourced from PubChem (CID 155807601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).