2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

C19H34O15 — CID 59766542

IUPAC2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILESCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)[C@@H]1OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C19H34O15/c1-5-8(22)10(24)12(26)17(30-5)34-16-14(28)15(7(4-21)32-19(16)29-2)33-18-13(27)11(25)9(23)6(3-20)31-18/h5-28H,3-4H2,1-2H3/t5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15?,16-,17?,18?,19?/m0/s1
InChIKeyPRXVNJYMECXRGU-ZCPFVTKSSA-N
MW502.47 g/mol
LogP-5.89
Rot. Bonds7

About 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (PubChem CID 59766542) has the molecular formula C19H34O15 and a molecular weight of 502.47 g/mol. Its IUPAC name is 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
PubChem CID59766542
Molecular FormulaC19H34O15
Molecular Weight502.47 g/mol
Exact Mass502.19
IUPAC Name2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
SMILESCOC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)[C@@H]1OC1OC(C)C(O)C(O)C1O
InChIInChI=1S/C19H34O15/c1-5-8(22)10(24)12(26)17(30-5)34-16-14(28)15(7(4-21)32-19(16)29-2)33-18-13(27)11(25)9(23)6(3-20)31-18/h5-28H,3-4H2,1-2H3/t5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15?,16-,17?,18?,19?/m0/s1
InChIKeyPRXVNJYMECXRGU-ZCPFVTKSSA-N
XLogP-5.89
TPSA237.45 Ų
H-Bond Donors9
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500502.47
LogP ≤ 5-5.89
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1015

Analyze 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3S,4R,5S,6S)-2-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol;hydrate
CID 139060370
(2R,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 14237331
(2R,3S,5R)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 58019724
(2S,3S,4R,5S,6S)-2-[(2R,3S,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 100925617
(2S,3S,4R,5S,6S)-2-[(2R,3R,4R,5R,6S)-5-hydroxy-2-(hydroxymethyl)-6-methoxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-methyloxane-3,4,5-triol
CID 101073919
(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5S,6S)-5-hydroxy-2-methoxy-6-methyl-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11443448
(2R,3S,4S,5R,6R)-2-[[(2R,3S,4R,5R,6S)-3,4-dihydroxy-6-methoxy-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol
CID 162940353
(3R,4S,5R,6R)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 91861744
(2S,3S,4R,5S,6S)-2-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R,5S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 101260567
(2S,4S,5S)-2-[(2S,3S,5R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2S,3S,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 171601689
2-[4-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-2-(hydroxymethyl)-6-methoxy-5-methyloxan-3-yl]oxy-6-methyloxane-3,4,5-triol
CID 20693657
(2S,4R,5S)-2-[(2R,3S)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 89449179

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The IUPAC name of 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol (CID 59766542) is 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol.
What is the SMILES notation for 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The canonical SMILES for 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is COC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)[C@@H]1OC1OC(C)C(O)C(O)C1O.
What is the InChIKey of 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
The InChIKey is PRXVNJYMECXRGU-ZCPFVTKSSA-N. The full InChI is InChI=1S/C19H34O15/c1-5-8(22)10(24)12(26)17(30-5)34-16-14(28)15(7(4-21)32-19(16)29-2)33-18-13(27)11(25)9(23)6(3-20)31-18/h5-28H,3-4H2,1-2H3/t5?,6?,7?,8?,9?,10?,11?,12?,13?,14?,15?,16-,17?,18?,19?/m0/s1.
What are the key properties of 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol?
2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol has a molecular weight of 502.47 g/mol, XLogP of -5.89, 7 rotatable bonds, 9 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 59766542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).