CID 155627823

C10H19BO7P — CID 155627823

IUPAC—
SMILES[3H][C@H]1CC(O)[C@@H](CO[P+]([B-])(O)OC2C[C@H]([3H])O[C@@H]2CO)O1
InChIInChI=1S/C10H19BO7P/c11-19(14,17-6-10-7(13)1-3-16-10)18-8-2-4-15-9(8)5-12/h7-10,12-14H,1-6H2/t7?,8?,9-,10-,19?/m1/s1/i3T,4T/t3-,4-,7?,8?,9+,10+,19?/m0
InChIKeyJUBNKSYGRUQFJV-IHDRRAQPSA-N
MW297.06 g/mol
LogP-0.84
Rot. Bonds6

About CID 155627823

CID 155627823 (PubChem CID 155627823) has the molecular formula C10H19BO7P and a molecular weight of 297.06 g/mol.

Molecular Properties

Compound NameCID 155627823
PubChem CID155627823
Molecular FormulaC10H19BO7P
Molecular Weight297.06 g/mol
Exact Mass297.11
IUPAC Name—
SMILES[3H][C@H]1CC(O)[C@@H](CO[P+]([B-])(O)OC2C[C@H]([3H])O[C@@H]2CO)O1
InChIInChI=1S/C10H19BO7P/c11-19(14,17-6-10-7(13)1-3-16-10)18-8-2-4-15-9(8)5-12/h7-10,12-14H,1-6H2/t7?,8?,9-,10-,19?/m1/s1/i3T,4T/t3-,4-,7?,8?,9+,10+,19?/m0
InChIKeyJUBNKSYGRUQFJV-IHDRRAQPSA-N
XLogP-0.84
TPSA97.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.06
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze CID 155627823 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-tritiooxolan-2-yl]methanol
CID 138965172
(2R,3R,5S)-2-(aminomethyl)-5-tritiooxolan-3-ol
CID 91388347
(2R,3S,5S)-2-[(E)-4-[(2S,3S,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl]but-2-enyl]-5-tritiooxolan-3-ol
CID 135013680
[(2R,5S)-2-(hydroxymethyl)-5-tritiooxolan-3-yl] 4-oxopentanoate
CID 88935779
[(2S,3R)-2-(hydroxymethyl)oxolan-3-yl] [(2S,3S)-3-hydroxyoxolan-2-yl]methyl hydrogen phosphate
CID 101369485
(2S,3R)-2-(hydroxymethyl)oxolan-3-ol
CID 21120394
3-[[(2R,3R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-[[(2R,3R,5S)-3-hydroxy-5-tritiooxolan-2-yl]methoxy]phosphinothioyl]oxypropanenitrile
CID 90707760
[(2S,3R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-tritiooxolan-3-yl]methanol
CID 59063136
(1S)-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]ethane-1,2-diol
CID 122215869
[(2S)-3-hydroperoxyoxolan-2-yl]methanol
CID 142984914
2-(hydroxymethyl)oxolan-3-ol;methanethiol
CID 172622049
[(2R,5R)-2-ethyl-5-tritiooxolan-3-yl]oxy-methyl-oxophosphanium
CID 161244881

Frequently Asked Questions

What is the IUPAC name of CID 155627823?
The IUPAC name of CID 155627823 (CID 155627823) is not available.
What is the SMILES notation for CID 155627823?
The canonical SMILES for CID 155627823 is [3H][C@H]1CC(O)[C@@H](CO[P+]([B-])(O)OC2C[C@H]([3H])O[C@@H]2CO)O1.
What is the InChIKey of CID 155627823?
The InChIKey is JUBNKSYGRUQFJV-IHDRRAQPSA-N. The full InChI is InChI=1S/C10H19BO7P/c11-19(14,17-6-10-7(13)1-3-16-10)18-8-2-4-15-9(8)5-12/h7-10,12-14H,1-6H2/t7?,8?,9-,10-,19?/m1/s1/i3T,4T/t3-,4-,7?,8?,9+,10+,19?/m0.
What are the key properties of CID 155627823?
CID 155627823 has a molecular weight of 297.06 g/mol, XLogP of -0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 155627823 is sourced from PubChem (CID 155627823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).