CID 87153348

C15H26BNO6 — CID 87153348

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(OC(=O)CCC(=O)NC)[C@@H]1OC(C)COC
InChIInChI=1S/C15H26BNO6/c1-5-10-13(23-12(19)7-6-11(18)17-3)14(15(16)22-10)21-9(2)8-20-4/h9-10,13-15H,5-8H2,1-4H3,(H,17,18)/t9?,10-,13?,14+,15-/m1/s1
InChIKeyMWSCFJJTWXSBRC-UEIRTDKZSA-N
MW327.19 g/mol
LogP0.15
Rot. Bonds9

About CID 87153348

CID 87153348 (PubChem CID 87153348) has the molecular formula C15H26BNO6 and a molecular weight of 327.19 g/mol.

Molecular Properties

Compound NameCID 87153348
PubChem CID87153348
Molecular FormulaC15H26BNO6
Molecular Weight327.19 g/mol
Exact Mass327.19
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(OC(=O)CCC(=O)NC)[C@@H]1OC(C)COC
InChIInChI=1S/C15H26BNO6/c1-5-10-13(23-12(19)7-6-11(18)17-3)14(15(16)22-10)21-9(2)8-20-4/h9-10,13-15H,5-8H2,1-4H3,(H,17,18)/t9?,10-,13?,14+,15-/m1/s1
InChIKeyMWSCFJJTWXSBRC-UEIRTDKZSA-N
XLogP0.15
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87153348?
The IUPAC name of CID 87153348 (CID 87153348) is not available.
What is the SMILES notation for CID 87153348?
The canonical SMILES for CID 87153348 is [B][C@@H]1O[C@H](CC)C(OC(=O)CCC(=O)NC)[C@@H]1OC(C)COC.
What is the InChIKey of CID 87153348?
The InChIKey is MWSCFJJTWXSBRC-UEIRTDKZSA-N. The full InChI is InChI=1S/C15H26BNO6/c1-5-10-13(23-12(19)7-6-11(18)17-3)14(15(16)22-10)21-9(2)8-20-4/h9-10,13-15H,5-8H2,1-4H3,(H,17,18)/t9?,10-,13?,14+,15-/m1/s1.
What are the key properties of CID 87153348?
CID 87153348 has a molecular weight of 327.19 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87153348 is sourced from PubChem (CID 87153348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).