(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol

C18H32O9 — CID 177057755

IUPAC(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol
SMILESCC1COC(OC2COC(OC3CC(O)C(C)O[C@@H]3CO)C(O)C2)C(O)C1
InChIInChI=1S/C18H32O9/c1-9-3-13(21)17(23-7-9)26-11-4-14(22)18(24-8-11)27-15-5-12(20)10(2)25-16(15)6-19/h9-22H,3-8H2,1-2H3/t9?,10?,11?,12?,13?,14?,15?,16-,17?,18?/m1/s1
InChIKeyTWBDEAUQHZUAPH-CBBWYSLWSA-N
MW392.45 g/mol
LogP-0.86
Rot. Bonds5

About (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol

(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol (PubChem CID 177057755) has the molecular formula C18H32O9 and a molecular weight of 392.45 g/mol. Its IUPAC name is (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol.

Molecular Properties

Compound Name(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol
PubChem CID177057755
Molecular FormulaC18H32O9
Molecular Weight392.45 g/mol
Exact Mass392.20
IUPAC Name(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol
SMILESCC1COC(OC2COC(OC3CC(O)C(C)O[C@@H]3CO)C(O)C2)C(O)C1
InChIInChI=1S/C18H32O9/c1-9-3-13(21)17(23-7-9)26-11-4-14(22)18(24-8-11)27-15-5-12(20)10(2)25-16(15)6-19/h9-22H,3-8H2,1-2H3/t9?,10?,11?,12?,13?,14?,15?,16-,17?,18?/m1/s1
InChIKeyTWBDEAUQHZUAPH-CBBWYSLWSA-N
XLogP-0.86
TPSA127.07 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

ethane;(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol;methanol
CID 177057754
(2S,4R,5R)-2-[(3S,6R)-5,6-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;methanol
CID 91516451
(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
CID 142436964
(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 147119634
(2R,3R,5S)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyoxane-3,5-diol
CID 71070700
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308
3-hydroxy-5-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
CID 162768130
(2S,3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-6-(hydroxymethyl)-3-methoxyoxane-2,5-diol
CID 91855274
(2S,3R,4S,5S,6R)-2-[(3S,4S,5R,6R)-4-[(2R,3R,5R,6R)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91851654
(3R,4S,5R,6S)-5-[(2R,3S,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,5S,6R)-5-hydroxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxane-2,3,4-triol
CID 91855739
2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
CID 118049141
[(2R,3S,5R)-5-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-hydroxyoxan-2-yl]methanolate
CID 147119633

Frequently Asked Questions

What is the IUPAC name of (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol?
The IUPAC name of (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol (CID 177057755) is (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol.
What is the SMILES notation for (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol?
The canonical SMILES for (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol is CC1COC(OC2COC(OC3CC(O)C(C)O[C@@H]3CO)C(O)C2)C(O)C1.
What is the InChIKey of (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol?
The InChIKey is TWBDEAUQHZUAPH-CBBWYSLWSA-N. The full InChI is InChI=1S/C18H32O9/c1-9-3-13(21)17(23-7-9)26-11-4-14(22)18(24-8-11)27-15-5-12(20)10(2)25-16(15)6-19/h9-22H,3-8H2,1-2H3/t9?,10?,11?,12?,13?,14?,15?,16-,17?,18?/m1/s1.
What are the key properties of (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol?
(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol has a molecular weight of 392.45 g/mol, XLogP of -0.86, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol is sourced from PubChem (CID 177057755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).