CID 101475299

C10H22AsNO9S+ — CID 101475299

IUPAC—
SMILESC[As](C)(=O)C[C@H]1O[C@@H](OC[C@H](O)C[S+]([O])(=O)ON)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H22AsNO9S/c1-11(2,16)3-7-8(14)9(15)10(20-7)19-4-6(13)5-22(17,18)21-12/h6-10,13-15H,3-5,12H2,1-2H3/q+1/t6-,7+,8+,9+,10+/m0/s1
InChIKeyJKJZFPVUMLYFAM-VAPHQMJDSA-N
MW407.27 g/mol
LogP-1.90
Rot. Bonds8

About CID 101475299

CID 101475299 (PubChem CID 101475299) has the molecular formula C10H22AsNO9S+ and a molecular weight of 407.27 g/mol.

Molecular Properties

Compound NameCID 101475299
PubChem CID101475299
Molecular FormulaC10H22AsNO9S+
Molecular Weight407.27 g/mol
Exact Mass407.02
IUPAC Name—
SMILESC[As](C)(=O)C[C@H]1O[C@@H](OC[C@H](O)C[S+]([O])(=O)ON)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H22AsNO9S/c1-11(2,16)3-7-8(14)9(15)10(20-7)19-4-6(13)5-22(17,18)21-12/h6-10,13-15H,3-5,12H2,1-2H3/q+1/t6-,7+,8+,9+,10+/m0/s1
InChIKeyJKJZFPVUMLYFAM-VAPHQMJDSA-N
XLogP-1.90
TPSA168.44 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 5-1.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2R)-2,3-dihydroxypropyl] [(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] hydrogen phosphate
CID 163033312
[(2S)-2,3-dihydroxypropyl] [(2R)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] phosphate
CID 101270923
(2R,3R,4S,5S)-2-(2,3-dihydroxypropoxy)-5-(dimethylarsinothioylmethyl)oxolane-3,4-diol
CID 101356821
(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol
CID 101030488
[(2R)-3-[[3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropoxy]-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
CID 102232987
(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
3-hydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanal
CID 54367448
(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol
CID 101120490
(2R,3S,5R)-2-(2,3-dihydroxypropoxy)-5-methyloxolane-3,4-diol
CID 121291371
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
CID 123699386

Frequently Asked Questions

What is the IUPAC name of CID 101475299?
The IUPAC name of CID 101475299 (CID 101475299) is not available.
What is the SMILES notation for CID 101475299?
The canonical SMILES for CID 101475299 is C[As](C)(=O)C[C@H]1O[C@@H](OC[C@H](O)C[S+]([O])(=O)ON)[C@H](O)[C@@H]1O.
What is the InChIKey of CID 101475299?
The InChIKey is JKJZFPVUMLYFAM-VAPHQMJDSA-N. The full InChI is InChI=1S/C10H22AsNO9S/c1-11(2,16)3-7-8(14)9(15)10(20-7)19-4-6(13)5-22(17,18)21-12/h6-10,13-15H,3-5,12H2,1-2H3/q+1/t6-,7+,8+,9+,10+/m0/s1.
What are the key properties of CID 101475299?
CID 101475299 has a molecular weight of 407.27 g/mol, XLogP of -1.90, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101475299 is sourced from PubChem (CID 101475299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).