(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol

C10H20O6 — CID 163072351

IUPAC(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol
SMILESC[C@H]1O[C@H](O[C@H](CO)CCO)[C@H](O)C[C@@H]1O
InChIInChI=1S/C10H20O6/c1-6-8(13)4-9(14)10(15-6)16-7(5-12)2-3-11/h6-14H,2-5H2,1H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeyUWRAGBZVGQLPOS-SOYHJAILSA-N
MW236.26 g/mol
LogP-1.40
Rot. Bonds5

About (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol

(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol (PubChem CID 163072351) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol.

Molecular Properties

Compound Name(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol
PubChem CID163072351
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol
SMILESC[C@H]1O[C@H](O[C@H](CO)CCO)[C@H](O)C[C@@H]1O
InChIInChI=1S/C10H20O6/c1-6-8(13)4-9(14)10(15-6)16-7(5-12)2-3-11/h6-14H,2-5H2,1H3/t6-,7+,8+,9-,10-/m1/s1
InChIKeyUWRAGBZVGQLPOS-SOYHJAILSA-N
XLogP-1.40
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol?
The IUPAC name of (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol (CID 163072351) is (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol.
What is the SMILES notation for (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol?
The canonical SMILES for (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol is C[C@H]1O[C@H](O[C@H](CO)CCO)[C@H](O)C[C@@H]1O.
What is the InChIKey of (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol?
The InChIKey is UWRAGBZVGQLPOS-SOYHJAILSA-N. The full InChI is InChI=1S/C10H20O6/c1-6-8(13)4-9(14)10(15-6)16-7(5-12)2-3-11/h6-14H,2-5H2,1H3/t6-,7+,8+,9-,10-/m1/s1.
What are the key properties of (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol?
(2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol has a molecular weight of 236.26 g/mol, XLogP of -1.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5S,6R)-2-[(2S)-1,4-dihydroxybutan-2-yl]oxy-6-methyloxane-3,5-diol is sourced from PubChem (CID 163072351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).