(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol

C10H20O6 — CID 70151145

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol
SMILESCO[C@H]1O[C@](C)(CO)C(O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H20O6/c1-10(5-11)8(12)6(13-2)7(14-3)9(15-4)16-10/h6-9,11-12H,5H2,1-4H3/t6-,7-,8?,9+,10-/m1/s1
InChIKeyIFBSIJQAMYECEU-SNIKVKKFSA-N
MW236.26 g/mol
LogP-0.87
Rot. Bonds4

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol (PubChem CID 70151145) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol
PubChem CID70151145
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol
SMILESCO[C@H]1O[C@](C)(CO)C(O)[C@H](OC)[C@H]1OC
InChIInChI=1S/C10H20O6/c1-10(5-11)8(12)6(13-2)7(14-3)9(15-4)16-10/h6-9,11-12H,5H2,1-4H3/t6-,7-,8?,9+,10-/m1/s1
InChIKeyIFBSIJQAMYECEU-SNIKVKKFSA-N
XLogP-0.87
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol (CID 70151145) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol is CO[C@H]1O[C@](C)(CO)C(O)[C@H](OC)[C@H]1OC.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol?
The InChIKey is IFBSIJQAMYECEU-SNIKVKKFSA-N. The full InChI is InChI=1S/C10H20O6/c1-10(5-11)8(12)6(13-2)7(14-3)9(15-4)16-10/h6-9,11-12H,5H2,1-4H3/t6-,7-,8?,9+,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol has a molecular weight of 236.26 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-4,5,6-trimethoxy-2-methyloxan-3-ol is sourced from PubChem (CID 70151145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).