(6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol

C8H16O7 — CID 91450250

IUPAC(6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC(C(O)CO)C(O)C(O)C1O
InChIInChI=1S/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3?,4?,5?,6?,7?,8-/m0/s1
InChIKeyGJUAFBSAJCBGRU-OZVWBSAESA-N
MW224.21 g/mol
LogP-3.21
Rot. Bonds3

About (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol

(6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol (PubChem CID 91450250) has the molecular formula C8H16O7 and a molecular weight of 224.21 g/mol. Its IUPAC name is (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol
PubChem CID91450250
Molecular FormulaC8H16O7
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name(6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol
SMILESCO[C@H]1OC(C(O)CO)C(O)C(O)C1O
InChIInChI=1S/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3?,4?,5?,6?,7?,8-/m0/s1
InChIKeyGJUAFBSAJCBGRU-OZVWBSAESA-N
XLogP-3.21
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 5-3.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol?
The IUPAC name of (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol (CID 91450250) is (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol.
What is the SMILES notation for (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol?
The canonical SMILES for (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol is CO[C@H]1OC(C(O)CO)C(O)C(O)C1O.
What is the InChIKey of (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol?
The InChIKey is GJUAFBSAJCBGRU-OZVWBSAESA-N. The full InChI is InChI=1S/C8H16O7/c1-14-8-6(13)4(11)5(12)7(15-8)3(10)2-9/h3-13H,2H2,1H3/t3?,4?,5?,6?,7?,8-/m0/s1.
What are the key properties of (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol?
(6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol has a molecular weight of 224.21 g/mol, XLogP of -3.21, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-(1,2-dihydroxyethyl)-6-methoxyoxane-3,4,5-triol is sourced from PubChem (CID 91450250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).