(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol

C7H14O8 — CID 139891188

IUPAC(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol
SMILESC[C@]1(O)O[C@H](C(O)O)[C@@H](O)C(O)(O)[C@H]1O
InChIInChI=1S/C7H14O8/c1-6(12)5(11)7(13,14)3(8)2(15-6)4(9)10/h2-5,8-14H,1H3/t2-,3+,5-,6-/m0/s1
InChIKeyFVNOZYNFURSMBN-VPXOEYFHSA-N
MW226.18 g/mol
LogP-4.19
Rot. Bonds1

About (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol

(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol (PubChem CID 139891188) has the molecular formula C7H14O8 and a molecular weight of 226.18 g/mol. Its IUPAC name is (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol.

Molecular Properties

Compound Name(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol
PubChem CID139891188
Molecular FormulaC7H14O8
Molecular Weight226.18 g/mol
Exact Mass226.07
IUPAC Name(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol
SMILESC[C@]1(O)O[C@H](C(O)O)[C@@H](O)C(O)(O)[C@H]1O
InChIInChI=1S/C7H14O8/c1-6(12)5(11)7(13,14)3(8)2(15-6)4(9)10/h2-5,8-14H,1H3/t2-,3+,5-,6-/m0/s1
InChIKeyFVNOZYNFURSMBN-VPXOEYFHSA-N
XLogP-4.19
TPSA150.84 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500226.18
LogP ≤ 5-4.19
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3S,5S,6S)-6-(dihydroxymethyl)oxane-2,3,4,4,5-pentol
CID 90758804
(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol
CID 68989098
2,4-dimethyloxetane-2,3-diol
CID 142770026
(2S,3S,5S,6R)-6-(hydroxymethyl)-6-methyloxane-2,3,4,4,5-pentol
CID 57122602
[(2R)-2-hydroxy-2-[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxy-6-methyloxan-2-yl]ethyl] dihydrogen phosphate
CID 57343992
(2R,4R,5R)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,3,4-tetrol
CID 130917800
(5R)-2-amino-5-[(1S)-1-hydroxyethyl]-2-methyloxolane-3,4-diol
CID 134169455
(2S,3S,4S,5S,6R)-6-[(1S)-2-[(2S,3S,4S,5S,6R)-6-[(1S)-1,2-dihydroxyethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-hydroxyethyl]-2-methyloxane-2,3,4,5-tetrol
CID 140632524
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
(3R,5S,6R)-cyclohexane-1,1,2,2,3,4,4,5,6-nonol
CID 174687155
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
(2R,3R,4S)-4-(4-bromophenyl)-2-(1-hydroxyethyl)oxolane-3,4-diol
CID 174876692

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol?
The IUPAC name of (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol (CID 139891188) is (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol.
What is the SMILES notation for (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol?
The canonical SMILES for (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol is C[C@]1(O)O[C@H](C(O)O)[C@@H](O)C(O)(O)[C@H]1O.
What is the InChIKey of (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol?
The InChIKey is FVNOZYNFURSMBN-VPXOEYFHSA-N. The full InChI is InChI=1S/C7H14O8/c1-6(12)5(11)7(13,14)3(8)2(15-6)4(9)10/h2-5,8-14H,1H3/t2-,3+,5-,6-/m0/s1.
What are the key properties of (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol?
(2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol has a molecular weight of 226.18 g/mol, XLogP of -4.19, 1 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R,6S)-6-(dihydroxymethyl)-2-methyloxane-2,3,4,4,5-pentol is sourced from PubChem (CID 139891188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).