CID 87153392

C15H26BNO8 — CID 87153392

IUPAC—
SMILES[B][C@@H]1O[C@H](CC)C(OC(=O)OCC(=O)NC)[C@@H]1OC(COC)COC
InChIInChI=1S/C15H26BNO8/c1-5-10-12(25-15(19)22-8-11(18)17-2)13(14(16)24-10)23-9(6-20-3)7-21-4/h9-10,12-14H,5-8H2,1-4H3,(H,17,18)/t10-,12?,13+,14-/m1/s1
InChIKeyXDXDNBGOPQYIFA-KVYFJXEBSA-N
MW359.18 g/mol
LogP-0.40
Rot. Bonds10

About CID 87153392

CID 87153392 (PubChem CID 87153392) has the molecular formula C15H26BNO8 and a molecular weight of 359.18 g/mol.

Molecular Properties

Compound NameCID 87153392
PubChem CID87153392
Molecular FormulaC15H26BNO8
Molecular Weight359.18 g/mol
Exact Mass359.18
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CC)C(OC(=O)OCC(=O)NC)[C@@H]1OC(COC)COC
InChIInChI=1S/C15H26BNO8/c1-5-10-12(25-15(19)22-8-11(18)17-2)13(14(16)24-10)23-9(6-20-3)7-21-4/h9-10,12-14H,5-8H2,1-4H3,(H,17,18)/t10-,12?,13+,14-/m1/s1
InChIKeyXDXDNBGOPQYIFA-KVYFJXEBSA-N
XLogP-0.40
TPSA101.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 87153392?
The IUPAC name of CID 87153392 (CID 87153392) is not available.
What is the SMILES notation for CID 87153392?
The canonical SMILES for CID 87153392 is [B][C@@H]1O[C@H](CC)C(OC(=O)OCC(=O)NC)[C@@H]1OC(COC)COC.
What is the InChIKey of CID 87153392?
The InChIKey is XDXDNBGOPQYIFA-KVYFJXEBSA-N. The full InChI is InChI=1S/C15H26BNO8/c1-5-10-12(25-15(19)22-8-11(18)17-2)13(14(16)24-10)23-9(6-20-3)7-21-4/h9-10,12-14H,5-8H2,1-4H3,(H,17,18)/t10-,12?,13+,14-/m1/s1.
What are the key properties of CID 87153392?
CID 87153392 has a molecular weight of 359.18 g/mol, XLogP of -0.40, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87153392 is sourced from PubChem (CID 87153392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).