CID 163212134

C11H17N2O6Si — CID 163212134

IUPAC—
SMILESC[Si](C)[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H17N2O6Si/c1-20(2)11(9(17)8(16)6(5-14)19-11)13-4-3-7(15)12-10(13)18/h3-4,6,8-9,14,16-17H,5H2,1-2H3,(H,12,15,18)/t6-,8-,9-,11+/m1/s1
InChIKeyPYIGBZKNWUPRNV-AAQQEJRNSA-N
MW301.35 g/mol
LogP-2.40
Rot. Bonds3

About CID 163212134

CID 163212134 (PubChem CID 163212134) has the molecular formula C11H17N2O6Si and a molecular weight of 301.35 g/mol.

Molecular Properties

Compound NameCID 163212134
PubChem CID163212134
Molecular FormulaC11H17N2O6Si
Molecular Weight301.35 g/mol
Exact Mass301.09
IUPAC Name—
SMILESC[Si](C)[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H17N2O6Si/c1-20(2)11(9(17)8(16)6(5-14)19-11)13-4-3-7(15)12-10(13)18/h3-4,6,8-9,14,16-17H,5H2,1-2H3,(H,12,15,18)/t6-,8-,9-,11+/m1/s1
InChIKeyPYIGBZKNWUPRNV-AAQQEJRNSA-N
XLogP-2.40
TPSA124.78 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67732608
2-[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetic acid
CID 118606673
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-nitrosooxolan-2-yl]pyrimidine-2,4-dione
CID 151862657
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 66840745
1-[(2S,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-propanoyloxolan-2-yl]pyrimidine-2,4-dione
CID 90013430
methyl 2-[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetate
CID 67381935
[(2S,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy hypobromite
CID 87666373
1-[(2S,3R,4S,5R)-2-butanoyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 69491113
1-[(2S,3R,4R,5R)-2,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 66682129
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-prop-2-enyloxolan-2-yl]pyrimidine-2,4-dione
CID 69262466
1-[(2R,3R,4S,5R)-2-[(E)-2-bromoethenyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 87294407
1-[(2S,3R,4S,5R)-2-dihydroxyphosphinothioyloxy-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175904459

Frequently Asked Questions

What is the IUPAC name of CID 163212134?
The IUPAC name of CID 163212134 (CID 163212134) is not available.
What is the SMILES notation for CID 163212134?
The canonical SMILES for CID 163212134 is C[Si](C)[C@@]1(n2ccc(=O)[nH]c2=O)O[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of CID 163212134?
The InChIKey is PYIGBZKNWUPRNV-AAQQEJRNSA-N. The full InChI is InChI=1S/C11H17N2O6Si/c1-20(2)11(9(17)8(16)6(5-14)19-11)13-4-3-7(15)12-10(13)18/h3-4,6,8-9,14,16-17H,5H2,1-2H3,(H,12,15,18)/t6-,8-,9-,11+/m1/s1.
What are the key properties of CID 163212134?
CID 163212134 has a molecular weight of 301.35 g/mol, XLogP of -2.40, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 163212134 is sourced from PubChem (CID 163212134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).