actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

C12H22Ac8O11 — CID 59059977

IUPACactinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

SMILESOCC1O[C@@H](O[C@H]2C(CO)O[C@@H](O)[C@H](O)C2O)[C@H](O)C(O)[C@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]

InChIInChI=1S/C12H22O11.8Ac/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;;;;;;;;/h3-20H,1-2H2;;;;;;;;/t3?,4?,5-,6?,7?,8+,9+,10-,11+,12-;;;;;;;;/m0......../s1

InChIKeyCKNDYRDDTCQOFR-IOJWNYEWSA-N

MW2158.30 g/mol

LogP-5.40

Rot. Bonds4

About actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol

actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol (PubChem CID 59059977) has the molecular formula C12H22Ac8O11 and a molecular weight of 2158.30 g/mol. Its IUPAC name is actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name	actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
PubChem CID	59059977
Molecular Formula	C12H22Ac8O11
Molecular Weight	2158.30 g/mol
Exact Mass	2158.34
IUPAC Name	actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
SMILES	OCC1O[C@@H](O[C@H]2C(CO)O[C@@H](O)[C@H](O)C2O)[C@H](O)C(O)[C@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac]
InChI	InChI=1S/C12H22O11.8Ac/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;;;;;;;;/h3-20H,1-2H2;;;;;;;;/t3?,4?,5-,6?,7?,8+,9+,10-,11+,12-;;;;;;;;/m0......../s1
InChIKey	CKNDYRDDTCQOFR-IOJWNYEWSA-N
XLogP	-5.40
TPSA	189.53 Å²
H-Bond Donors	8
H-Bond Acceptors	11
Rotatable Bonds	4
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2158.30
LogP ≤ 5	-5.40
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	11

Related Compounds

Frequently Asked Questions

What is the IUPAC name of actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?

The IUPAC name of actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol (CID 59059977) is actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol.

What is the SMILES notation for actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?

The canonical SMILES for actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol is OCC1O[C@@H](O[C@H]2C(CO)O[C@@H](O)[C@H](O)C2O)[C@H](O)C(O)[C@H]1O.[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].[Ac].

What is the InChIKey of actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?

The InChIKey is CKNDYRDDTCQOFR-IOJWNYEWSA-N. The full InChI is InChI=1S/C12H22O11.8Ac/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;;;;;;;;/h3-20H,1-2H2;;;;;;;;/t3?,4?,5-,6?,7?,8+,9+,10-,11+,12-;;;;;;;;/m0......../s1.

What are the key properties of actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol?

actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol has a molecular weight of 2158.30 g/mol, XLogP of -5.40, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for actinium;(3R,5R,6S)-2-(hydroxymethyl)-6-[(3R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 59059977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).