CID 10480929

C22H37N3O6Si2 — CID 10480929

IUPAC—
SMILES[C]=N[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C22H37N3O6Si2/c1-13(2)32(14(3)4)28-12-17-20(30-33(31-32,15(5)6)16(7)8)19(23-9)21(29-17)25-11-10-18(26)24-22(25)27/h10-11,13-17,19-21H,12H2,1-8H3,(H,24,26,27)/t17-,19-,20-,21-/m1/s1
InChIKeyXKPRIOOQGXHDHW-CWJKEVGVSA-N
MW495.73 g/mol
LogP3.21
Rot. Bonds6

About CID 10480929

CID 10480929 (PubChem CID 10480929) has the molecular formula C22H37N3O6Si2 and a molecular weight of 495.73 g/mol.

Molecular Properties

Compound NameCID 10480929
PubChem CID10480929
Molecular FormulaC22H37N3O6Si2
Molecular Weight495.73 g/mol
Exact Mass495.22
IUPAC Name—
SMILES[C]=N[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(=O)[nH]c1=O
InChIInChI=1S/C22H37N3O6Si2/c1-13(2)32(14(3)4)28-12-17-20(30-33(31-32,15(5)6)16(7)8)19(23-9)21(29-17)25-11-10-18(26)24-22(25)27/h10-11,13-17,19-21H,12H2,1-8H3,(H,24,26,27)/t17-,19-,20-,21-/m1/s1
InChIKeyXKPRIOOQGXHDHW-CWJKEVGVSA-N
XLogP3.21
TPSA104.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.73
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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1-[(6aR,8R,9R,9aS)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-(2,3,4,5-13C4)furano[3,2-f](6,7,8-13C3)[1,3,5,2,4]trioxadisilocin-8-yl](1,3-15N2)pyrimidine-2,4-dione
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1-[(6aR,8R,9R)-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
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CID 10323493
1-[(6aR,8R,9S,9aR)-9-methyl-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-4-sulfanylidenepyrimidin-2-one
CID 131748883
3-[[(6aR,8R,9S,9aS)-8-(2,4-dioxopyrimidin-1-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]oxymethoxymethoxy]propanenitrile
CID 90261699
1-[(6aR,8R,9R,9aS)-9-deuterio-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
CID 25240349
1-[(6aR,8R,9R)-9-(hydroxymethyl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione;1-[(6aR,8R,9R)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione;1-[(2R,3R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione;1-[(2R,3R,5R)-4-hydroxy-3,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
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CID 59253589
3-[(6aR,8R,9S,9aR)-8-(2,4-dioxopyrimidin-1-yl)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-9-yl]propyl methanesulfonate
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1-[(6aS,8R,9S,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-5-methylpyrimidine-2,4-dione
CID 168748488
1-[(6aR,8R,9R,9aR)-9-hydroxy-2,2,4,4-tetra(propan-2-yl)-9-prop-1-ynyl-6,6a,8,9a-tetrahydrofuro[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]pyrimidine-2,4-dione
CID 123334122

Frequently Asked Questions

What is the IUPAC name of CID 10480929?
The IUPAC name of CID 10480929 (CID 10480929) is not available.
What is the SMILES notation for CID 10480929?
The canonical SMILES for CID 10480929 is [C]=N[C@@H]1[C@@H]2O[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)OC[C@H]2O[C@H]1n1ccc(=O)[nH]c1=O.
What is the InChIKey of CID 10480929?
The InChIKey is XKPRIOOQGXHDHW-CWJKEVGVSA-N. The full InChI is InChI=1S/C22H37N3O6Si2/c1-13(2)32(14(3)4)28-12-17-20(30-33(31-32,15(5)6)16(7)8)19(23-9)21(29-17)25-11-10-18(26)24-22(25)27/h10-11,13-17,19-21H,12H2,1-8H3,(H,24,26,27)/t17-,19-,20-,21-/m1/s1.
What are the key properties of CID 10480929?
CID 10480929 has a molecular weight of 495.73 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10480929 is sourced from PubChem (CID 10480929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).