(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol

C7H14O5 — CID 11062955

IUPAC(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCOC1(CO)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H14O5/c1-11-7(4-9)2-5(10)6(3-8)12-7/h5-6,8-10H,2-4H2,1H3/t5-,6+,7?/m0/s1
InChIKeyBHTSYMHTLRRMDP-GFCOJPQKSA-N
MW178.18 g/mol
LogP-1.54
Rot. Bonds3

About (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol

(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol (PubChem CID 11062955) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
PubChem CID11062955
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol
SMILESCOC1(CO)C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C7H14O5/c1-11-7(4-9)2-5(10)6(3-8)12-7/h5-6,8-10H,2-4H2,1H3/t5-,6+,7?/m0/s1
InChIKeyBHTSYMHTLRRMDP-GFCOJPQKSA-N
XLogP-1.54
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 89126678
(2R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,4-diol
CID 131201868
(2R)-2-[(2R,5S)-4-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydro-2H-pyran-3,4,5-triol
CID 71026784
(2S,4S,5R)-5-(hydroxymethyl)-2-prop-1-en-2-yloxolane-2,4-diol
CID 69088897
(2R,3S)-5-amino-5-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 18666633
2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 19699733
(2R,3R,4R,5S)-2-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 18645218
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(methoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67593732
2-[2-[[2-amino-6-[2-[(2S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-2-yl]ethylamino]hexanoyl]-methylamino]propanoylamino]acetic acid
CID 134292360
6-(hydroxymethyl)-2-methoxy-2-(4-methylphenyl)oxane-3,4,5-triol
CID 59847082
2,3-dihydroxy-7-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acid
CID 126761088
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methoxy-6-(2H-tetrazol-5-yl)oxane-3,4-diol
CID 11776652

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol?
The IUPAC name of (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol (CID 11062955) is (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol.
What is the SMILES notation for (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol?
The canonical SMILES for (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol is COC1(CO)C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol?
The InChIKey is BHTSYMHTLRRMDP-GFCOJPQKSA-N. The full InChI is InChI=1S/C7H14O5/c1-11-7(4-9)2-5(10)6(3-8)12-7/h5-6,8-10H,2-4H2,1H3/t5-,6+,7?/m0/s1.
What are the key properties of (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol?
(2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol has a molecular weight of 178.18 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2,5-bis(hydroxymethyl)-5-methoxyoxolan-3-ol is sourced from PubChem (CID 11062955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).