actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol

C6H11Ac4IO5 — CID 59974133

IUPACactinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@H](CI)C(O)C(O)C1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C6H11IO5.4Ac/c7-1-2-3(8)4(9)5(10)6(11)12-2;;;;/h2-6,8-11H,1H2;;;;/t2-,3?,4?,5?,6?;;;;/m1..../s1
InChIKeyGBLDXEOYZCQXIN-IPHVVFBUSA-N
MW1198.05 g/mol
LogP-1.78
Rot. Bonds1

About actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol

actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol (PubChem CID 59974133) has the molecular formula C6H11Ac4IO5 and a molecular weight of 1198.05 g/mol. Its IUPAC name is actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Nameactinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
PubChem CID59974133
Molecular FormulaC6H11Ac4IO5
Molecular Weight1198.05 g/mol
Exact Mass1198.08
IUPAC Nameactinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
SMILESOC1O[C@H](CI)C(O)C(O)C1O.[Ac].[Ac].[Ac].[Ac]
InChIInChI=1S/C6H11IO5.4Ac/c7-1-2-3(8)4(9)5(10)6(11)12-2;;;;/h2-6,8-11H,1H2;;;;/t2-,3?,4?,5?,6?;;;;/m1..../s1
InChIKeyGBLDXEOYZCQXIN-IPHVVFBUSA-N
XLogP-1.78
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 5001198.05
LogP ≤ 5-1.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol
CID 59974134
(3R,4S,5S,6R)-6-(2-iodoethyl)oxane-2,3,4,5-tetrol
CID 138718214
(5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 59445439
(2S,3S,4R,5S,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971007
(3R,4S,5S,6R)-6-((15O)oxidanylmethyl)oxane-2,3,4,5-tetrol
CID 11492034
(2S,3S,5R,6S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 125309563
(2R,3R,4S,5R,6R)-6-(hydroxy(113C)methyl)oxane-2,3,4,5-tetrol
CID 11344362
(2S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 156615593
azane;(3R,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70501516
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrobromide
CID 175197027
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrate
CID 174454865
(3S,4S,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;hydrochloride
CID 67086676

Frequently Asked Questions

What is the IUPAC name of actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol (CID 59974133) is actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol is OC1O[C@H](CI)C(O)C(O)C1O.[Ac].[Ac].[Ac].[Ac].
What is the InChIKey of actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol?
The InChIKey is GBLDXEOYZCQXIN-IPHVVFBUSA-N. The full InChI is InChI=1S/C6H11IO5.4Ac/c7-1-2-3(8)4(9)5(10)6(11)12-2;;;;/h2-6,8-11H,1H2;;;;/t2-,3?,4?,5?,6?;;;;/m1..../s1.
What are the key properties of actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol?
actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol has a molecular weight of 1198.05 g/mol, XLogP of -1.78, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(6S)-6-(iodomethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 59974133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).