(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate

C8H48N2O22V6 — CID 146037614

IUPAC(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.OC[C@@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O.[V].[V].[V].[V].[V].[V]
InChIInChI=1S/C8H12N2O4.18H2O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-8,11-13H,3H2;18*1H2;;;;;;/t5-,6+,7+,8+;;;;;;;;;;;;;;;;;;;;;;;;/m0......................../s1
InChIKeyZUABHQLOOGVPRV-RERAPKNWSA-N
MW830.13 g/mol
LogP-16.36
Rot. Bonds2

About (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate

(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate (PubChem CID 146037614) has the molecular formula C8H48N2O22V6 and a molecular weight of 830.13 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate
PubChem CID146037614
Molecular FormulaC8H48N2O22V6
Molecular Weight830.13 g/mol
Exact Mass829.93
IUPAC Name(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.OC[C@@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O.[V].[V].[V].[V].[V].[V]
InChIInChI=1S/C8H12N2O4.18H2O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-8,11-13H,3H2;18*1H2;;;;;;/t5-,6+,7+,8+;;;;;;;;;;;;;;;;;;;;;;;;/m0......................../s1
InChIKeyZUABHQLOOGVPRV-RERAPKNWSA-N
XLogP-16.36
TPSA654.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500830.13
LogP ≤ 5-16.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R,3S,4R,5R)-3,4-dihydroxy-5-imidazol-1-yloxolan-2-yl]methyl hydrogen phosphate
CID 24971459
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyridin-4-one
CID 14331213
(2R,3S,4R)-2-(hydroxymethyl)-5-(triazol-1-yl)oxolane-3,4-diol
CID 70544404
(2S,3S,4S,5R)-2-(2-aminoimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 45093396
(2R,3R,4S,5R)-2-(5-aminoimidazol-1-yl)-5-(hydroxymethyl)(313C)oxolane-3,4-diol
CID 11401650
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70641093
(2S,3R,4R,5R)-2-(hydroxymethyl)-5-purin-9-yloxolane-3,4-diol
CID 676112
(2R,3S,5R)-2-(hydroxymethyl)-5-imidazo[4,5-b]pyridin-3-yloxolane-3,4-diol
CID 162472600
(2R,3S,4R,5R)-2-(hydroxymethyl)-5-imidazo[4,5-b]pyrazin-3-yloxolane-3,4-diol
CID 131878957
(2R,3S,4R)-2-(hydroxymethyl)-5-(4-nitroimidazol-1-yl)oxolane-3,4-diol
CID 11481961
(2R,3R,4S,5R)-2-(4,5-dichloroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 3012563
1-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4,5-dicarbonitrile
CID 3006680

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate?
The IUPAC name of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate (CID 146037614) is (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate.
What is the SMILES notation for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate?
The canonical SMILES for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate is O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.OC[C@@H]1O[C@@H](n2ccnc2)[C@H](O)[C@@H]1O.[V].[V].[V].[V].[V].[V].
What is the InChIKey of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate?
The InChIKey is ZUABHQLOOGVPRV-RERAPKNWSA-N. The full InChI is InChI=1S/C8H12N2O4.18H2O.6V/c11-3-5-6(12)7(13)8(14-5)10-2-1-9-4-10;;;;;;;;;;;;;;;;;;;;;;;;/h1-2,4-8,11-13H,3H2;18*1H2;;;;;;/t5-,6+,7+,8+;;;;;;;;;;;;;;;;;;;;;;;;/m0......................../s1.
What are the key properties of (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate?
(2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate has a molecular weight of 830.13 g/mol, XLogP of -16.36, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(hydroxymethyl)-5-imidazol-1-yloxolane-3,4-diol;hexakis(vanadium);octadecahydrate is sourced from PubChem (CID 146037614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).