CID 134970289

C11H23B3O10P2 — CID 134970289

IUPAC—
SMILES[B]C[C@H](COP(=O)(O)O[C@H](C[B])COP(=O)(O)O[C@H](C[B])COC)OC
InChIInChI=1S/C11H23B3O10P2/c1-19-6-10(4-13)23-26(17,18)22-8-11(5-14)24-25(15,16)21-7-9(3-12)20-2/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,11-/m1/s1
InChIKeyBKQJNVJEHHPRGY-GMTAPVOTSA-N
MW409.68 g/mol
LogP0.41
Rot. Bonds16

About CID 134970289

CID 134970289 (PubChem CID 134970289) has the molecular formula C11H23B3O10P2 and a molecular weight of 409.68 g/mol.

Molecular Properties

Compound NameCID 134970289
PubChem CID134970289
Molecular FormulaC11H23B3O10P2
Molecular Weight409.68 g/mol
Exact Mass410.10
IUPAC Name—
SMILES[B]C[C@H](COP(=O)(O)O[C@H](C[B])COP(=O)(O)O[C@H](C[B])COC)OC
InChIInChI=1S/C11H23B3O10P2/c1-19-6-10(4-13)23-26(17,18)22-8-11(5-14)24-25(15,16)21-7-9(3-12)20-2/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,11-/m1/s1
InChIKeyBKQJNVJEHHPRGY-GMTAPVOTSA-N
XLogP0.41
TPSA129.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.68
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2,3-dimethoxypropyl] dihydrogen phosphate
CID 118688296
(2-ethoxy-3-methoxypropyl) methyl hydrogen phosphate
CID 59083652
(1-amino-3-methoxypropan-2-yl) methyl hydrogen phosphate
CID 90329165
pentan-3-yl propyl hydrogen phosphate
CID 151314588
carbanide;2,3-dimethoxypropyl 2-[3-(methanidylamino)propanoylamino]ethyl hydrogen phosphate;yttrium
CID 58846880
(4-methoxy-3-methylbutyl) propan-2-yl hydrogen phosphate
CID 129147562
[(2R)-1-methoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl hydrogen phosphate
CID 657052
2-aminoethyl (3-hexadecoxy-2-methoxypropyl) hydrogen phosphate
CID 24802202
1,2,5,6-tetramethoxyhexane
CID 18679814
[(2R)-1-[(1-hexadecoxy-3-hydroxypropan-2-yl)oxy-hydroxyphosphoryl]oxy-3-hydroxypropan-2-yl] hexadecanoate
CID 140522104
2,3-dimethoxypropyl 2-aminoacetate
CID 163449313
[(2R)-2,3-dimethoxypropyl] methanesulfonate
CID 124582874

Frequently Asked Questions

What is the IUPAC name of CID 134970289?
The IUPAC name of CID 134970289 (CID 134970289) is not available.
What is the SMILES notation for CID 134970289?
The canonical SMILES for CID 134970289 is [B]C[C@H](COP(=O)(O)O[C@H](C[B])COP(=O)(O)O[C@H](C[B])COC)OC.
What is the InChIKey of CID 134970289?
The InChIKey is BKQJNVJEHHPRGY-GMTAPVOTSA-N. The full InChI is InChI=1S/C11H23B3O10P2/c1-19-6-10(4-13)23-26(17,18)22-8-11(5-14)24-25(15,16)21-7-9(3-12)20-2/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)/t9-,10-,11-/m1/s1.
What are the key properties of CID 134970289?
CID 134970289 has a molecular weight of 409.68 g/mol, XLogP of 0.41, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134970289 is sourced from PubChem (CID 134970289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).