(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol

C18H34O10 — CID 118441361

IUPAC(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@@H](O[C@H]2C[C@H](O)[C@@H](C)C(COCCO)O2)C(COCCO)O1
InChIInChI=1S/C18H34O10/c1-11-12(21)7-17(26-14(11)9-24-5-3-19)28-18-13(22)8-16(23-2)27-15(18)10-25-6-4-20/h11-22H,3-10H2,1-2H3/t11-,12+,13+,14?,15?,16-,17+,18-/m1/s1
InChIKeyKNFPFDZVHIRQNF-SKOOUODESA-N
MW410.46 g/mol
LogP-1.38
Rot. Bonds11

About (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol

(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol (PubChem CID 118441361) has the molecular formula C18H34O10 and a molecular weight of 410.46 g/mol. Its IUPAC name is (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol.

Molecular Properties

Compound Name(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol
PubChem CID118441361
Molecular FormulaC18H34O10
Molecular Weight410.46 g/mol
Exact Mass410.22
IUPAC Name(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol
SMILESCO[C@H]1C[C@H](O)[C@@H](O[C@H]2C[C@H](O)[C@@H](C)C(COCCO)O2)C(COCCO)O1
InChIInChI=1S/C18H34O10/c1-11-12(21)7-17(26-14(11)9-24-5-3-19)28-18-13(22)8-16(23-2)27-15(18)10-25-6-4-20/h11-22H,3-10H2,1-2H3/t11-,12+,13+,14?,15?,16-,17+,18-/m1/s1
InChIKeyKNFPFDZVHIRQNF-SKOOUODESA-N
XLogP-1.38
TPSA136.30 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 130303988
(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
CID 122520069
2-[[3,4,5-tris(2-hydroxyethoxy)-6-methoxyoxan-2-yl]methoxy]ethanol
CID 19991269
(3R,4S,6R)-5-amino-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 58807594
(2R,3S,5R)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763871
(2R,3S,5S)-5-methoxy-2-(methoxymethyl)oxolan-3-ol
CID 130763870
(3S,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4-diol
CID 58863017
(2R,3S,4R,6R)-2-ethyl-3,6-dimethoxyoxan-4-ol
CID 129234944
[(2R,3S,4R,6S)-4-hydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl] hypoiodite
CID 142600377
(2S,3S,5S)-2-ethyl-5-methoxyoxolan-3-ol
CID 158313772
(2R,3R,6R)-2-(hydroxymethyl)-6-methoxy-4-methyloxan-3-ol
CID 147159840
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol?
The IUPAC name of (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol (CID 118441361) is (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol.
What is the SMILES notation for (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol?
The canonical SMILES for (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol is CO[C@H]1C[C@H](O)[C@@H](O[C@H]2C[C@H](O)[C@@H](C)C(COCCO)O2)C(COCCO)O1.
What is the InChIKey of (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol?
The InChIKey is KNFPFDZVHIRQNF-SKOOUODESA-N. The full InChI is InChI=1S/C18H34O10/c1-11-12(21)7-17(26-14(11)9-24-5-3-19)28-18-13(22)8-16(23-2)27-15(18)10-25-6-4-20/h11-22H,3-10H2,1-2H3/t11-,12+,13+,14?,15?,16-,17+,18-/m1/s1.
What are the key properties of (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol?
(3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol has a molecular weight of 410.46 g/mol, XLogP of -1.38, 11 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6S)-2-(2-hydroxyethoxymethyl)-6-[(3R,4S,6R)-4-hydroxy-2-(2-hydroxyethoxymethyl)-6-methoxyoxan-3-yl]oxy-3-methyloxan-4-ol is sourced from PubChem (CID 118441361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).