[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate

C12H21O8- — CID 147119633

IUPAC[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate
SMILES[O-]C[C@H]1OC[C@H](O[C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)C[C@@H]1O
InChIInChI=1S/C12H21O8/c13-3-6-1-9(16)11(17)12(19-6)20-7-2-8(15)10(4-14)18-5-7/h6-13,15-17H,1-5H2/q-1/t6-,7-,8+,9-,10-,11+,12-/m1/s1
InChIKeyBOCHHDGNDDYDMN-FGJFCTRUSA-N
MW293.29 g/mol
LogP-3.29
Rot. Bonds4

About [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate

[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate (PubChem CID 147119633) has the molecular formula C12H21O8- and a molecular weight of 293.29 g/mol. Its IUPAC name is [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate.

Molecular Properties

Compound Name[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate
PubChem CID147119633
Molecular FormulaC12H21O8-
Molecular Weight293.29 g/mol
Exact Mass293.12
IUPAC Name[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate
SMILES[O-]C[C@H]1OC[C@H](O[C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)C[C@@H]1O
InChIInChI=1S/C12H21O8/c13-3-6-1-9(16)11(17)12(19-6)20-7-2-8(15)10(4-14)18-5-7/h6-13,15-17H,1-5H2/q-1/t6-,7-,8+,9-,10-,11+,12-/m1/s1
InChIKeyBOCHHDGNDDYDMN-FGJFCTRUSA-N
XLogP-3.29
TPSA131.67 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 5-3.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate with MolForge

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Related Compounds

(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 147119634
(2R,3R,4S)-2-[(2R,4S)-2-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 167113171
[(2R,3R,4R,5R)-4-[(2R,3S,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]methyl hypoiodite
CID 118002144
(2S,3S,4S,6R)-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 93090180
3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 162768130
(2S,4R,5R)-2-[(3S,6R)-5,6-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;methanol
CID 91516451
(2S,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4S,5S,6R)-5-[(2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 129120159
(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4R,5S,6R)-5-[(3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxane-3,4-diol
CID 155298605
(2S,3R,4S,5R)-2-[(2S,3R,4S,5R)-2-[(2S,3S,4S,5S)-4-[(2S,3R,4S,6S)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-2-methyloxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxyoxane-3,4,5-triol
CID 167111903
(1R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxycyclohexane-1,3-diol
CID 143974221
(2S,3S,4S,5S,6R)-2-[(2R,3S,4S,6S)-4-hydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 42631468
(2R,3S,4R,5R,6S)-3-amino-2-[(2S,3R,4R,5R)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2R,3S,4S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;(2S,3R,4S,5S,6R)-3-amino-2-[(2R,3S,4S,5S)-5-amino-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3R,4R,6S)-3-amino-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-4-ol;tris(lanthanum(3+))
CID 139211987

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate?
The IUPAC name of [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate (CID 147119633) is [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate.
What is the SMILES notation for [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate?
The canonical SMILES for [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate is [O-]C[C@H]1OC[C@H](O[C@H]2O[C@@H](CO)C[C@@H](O)[C@@H]2O)C[C@@H]1O.
What is the InChIKey of [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate?
The InChIKey is BOCHHDGNDDYDMN-FGJFCTRUSA-N. The full InChI is InChI=1S/C12H21O8/c13-3-6-1-9(16)11(17)12(19-6)20-7-2-8(15)10(4-14)18-5-7/h6-13,15-17H,1-5H2/q-1/t6-,7-,8+,9-,10-,11+,12-/m1/s1.
What are the key properties of [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate?
[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate has a molecular weight of 293.29 g/mol, XLogP of -3.29, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate is sourced from PubChem (CID 147119633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).