CID 162130070

C14H23B2FO10P2S-2 — CID 162130070

IUPAC—
SMILES[B][C@@H]1O[C@H](COP([CH2-])(=O)O[C@H]2C(F)[C@@H](COP([O-])(O)=S)O[C@H]2[B])C(OC(C)C)[C@@H]1O
InChIInChI=1S/C14H24B2FO10P2S/c1-6(2)24-11-8(26-13(15)10(11)18)5-22-28(3,19)27-12-9(17)7(25-14(12)16)4-23-29(20,21)30/h6-14,18H,3-5H2,1-2H3,(H2,20,21,30)/q-1/p-1/t7-,8-,9?,10+,11?,12+,13-,14-,28?/m1/s1
InChIKeySQYVBINEDMDHOY-JUTXYAEOSA-M
MW485.97 g/mol
LogP-0.75
Rot. Bonds10

About CID 162130070

CID 162130070 (PubChem CID 162130070) has the molecular formula C14H23B2FO10P2S-2 and a molecular weight of 485.97 g/mol.

Molecular Properties

Compound NameCID 162130070
PubChem CID162130070
Molecular FormulaC14H23B2FO10P2S-2
Molecular Weight485.97 g/mol
Exact Mass486.07
IUPAC Name—
SMILES[B][C@@H]1O[C@H](COP([CH2-])(=O)O[C@H]2C(F)[C@@H](COP([O-])(O)=S)O[C@H]2[B])C(OC(C)C)[C@@H]1O
InChIInChI=1S/C14H24B2FO10P2S/c1-6(2)24-11-8(26-13(15)10(11)18)5-22-28(3,19)27-12-9(17)7(25-14(12)16)4-23-29(20,21)30/h6-14,18H,3-5H2,1-2H3,(H2,20,21,30)/q-1/p-1/t7-,8-,9?,10+,11?,12+,13-,14-,28?/m1/s1
InChIKeySQYVBINEDMDHOY-JUTXYAEOSA-M
XLogP-0.75
TPSA135.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.97
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 162130070?
The IUPAC name of CID 162130070 (CID 162130070) is not available.
What is the SMILES notation for CID 162130070?
The canonical SMILES for CID 162130070 is [B][C@@H]1O[C@H](COP([CH2-])(=O)O[C@H]2C(F)[C@@H](COP([O-])(O)=S)O[C@H]2[B])C(OC(C)C)[C@@H]1O.
What is the InChIKey of CID 162130070?
The InChIKey is SQYVBINEDMDHOY-JUTXYAEOSA-M. The full InChI is InChI=1S/C14H24B2FO10P2S/c1-6(2)24-11-8(26-13(15)10(11)18)5-22-28(3,19)27-12-9(17)7(25-14(12)16)4-23-29(20,21)30/h6-14,18H,3-5H2,1-2H3,(H2,20,21,30)/q-1/p-1/t7-,8-,9?,10+,11?,12+,13-,14-,28?/m1/s1.
What are the key properties of CID 162130070?
CID 162130070 has a molecular weight of 485.97 g/mol, XLogP of -0.75, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162130070 is sourced from PubChem (CID 162130070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).