CID 163909475

C19H36BO5PY — CID 163909475

IUPAC—
SMILES[B][C@@H]1O[C@H](C(C)C)[C@H](O[PH](=O)CC[C@H]2O[C@@H](C)C(C)[C@H]2OC(C)C)C1C.[Y]
InChIInChI=1S/C19H36BO5P.Y/c1-10(2)16-18(13(6)19(20)24-16)25-26(21)9-8-15-17(22-11(3)4)12(5)14(7)23-15;/h10-19,26H,8-9H2,1-7H3;/t12?,13?,14-,15+,16+,17+,18+,19+;/m0./s1
InChIKeyAHWIUMNCRVPMBQ-DQZVECFMSA-N
MW475.18 g/mol
LogP3.64
Rot. Bonds8

About CID 163909475

CID 163909475 (PubChem CID 163909475) has the molecular formula C19H36BO5PY and a molecular weight of 475.18 g/mol.

Molecular Properties

Compound NameCID 163909475
PubChem CID163909475
Molecular FormulaC19H36BO5PY
Molecular Weight475.18 g/mol
Exact Mass475.15
IUPAC Name—
SMILES[B][C@@H]1O[C@H](C(C)C)[C@H](O[PH](=O)CC[C@H]2O[C@@H](C)C(C)[C@H]2OC(C)C)C1C.[Y]
InChIInChI=1S/C19H36BO5P.Y/c1-10(2)16-18(13(6)19(20)24-16)25-26(21)9-8-15-17(22-11(3)4)12(5)14(7)23-15;/h10-19,26H,8-9H2,1-7H3;/t12?,13?,14-,15+,16+,17+,18+,19+;/m0./s1
InChIKeyAHWIUMNCRVPMBQ-DQZVECFMSA-N
XLogP3.64
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.18
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 158346481
CID 158346481
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CID 164975404
(2S,4R,5S)-3,4-dimethyl-2,5-di(propan-2-yloxy)-6-(6-propan-2-ylsulfanylhexyl)oxane
CID 159229294
[4,5-dimethyl-2-(2-propan-2-yloxyethyl)oxolan-3-yl] propan-2-yl phosphate
CID 21028172
CID 23401540
CID 23401540
CID 21348493
CID 21348493
CID 20782811
CID 20782811
chloro-hydroxy-[2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl]oxy-methoxyphosphanium
CID 118595337
(2S,3S,5S)-2,3-dimethyl-5-(2-methylpropoxyphosphonoyloxymethyl)-4-(2-methylpropyl)oxolane;yttrium
CID 163686868
2-(hydroxymethyl)-5,6-dimethyloxane-3,4-diol;1-(3-hydroxy-4-methyloxolan-2-yl)ethane-1,2-diol;isocyanic acid
CID 161355505
(2R,4S,5R)-6-ethyl-3,5-dimethyl-4-propan-2-yloxyoxan-2-ol
CID 126764279
2-(3-methoxybutyl)-3-methyloxirane
CID 88560295

Frequently Asked Questions

What is the IUPAC name of CID 163909475?
The IUPAC name of CID 163909475 (CID 163909475) is not available.
What is the SMILES notation for CID 163909475?
The canonical SMILES for CID 163909475 is [B][C@@H]1O[C@H](C(C)C)[C@H](O[PH](=O)CC[C@H]2O[C@@H](C)C(C)[C@H]2OC(C)C)C1C.[Y].
What is the InChIKey of CID 163909475?
The InChIKey is AHWIUMNCRVPMBQ-DQZVECFMSA-N. The full InChI is InChI=1S/C19H36BO5P.Y/c1-10(2)16-18(13(6)19(20)24-16)25-26(21)9-8-15-17(22-11(3)4)12(5)14(7)23-15;/h10-19,26H,8-9H2,1-7H3;/t12?,13?,14-,15+,16+,17+,18+,19+;/m0./s1.
What are the key properties of CID 163909475?
CID 163909475 has a molecular weight of 475.18 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163909475 is sourced from PubChem (CID 163909475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).