(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

C14H26O9 — CID 122520069

IUPAC(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2CC(O)[C@H](C)C(CO)O2)C(O)C1O
InChIInChI=1S/C14H26O9/c1-6-7(17)3-10(21-8(6)4-15)23-13-9(5-16)22-14(20-2)12(19)11(13)18/h6-19H,3-5H2,1-2H3/t6-,7?,8?,9-,10-,11?,12?,13+,14+/m0/s1
InChIKeyKAJANAZGJOXVBD-FKWZTVOYSA-N
MW338.35 g/mol
LogP-2.44
Rot. Bonds5

About (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 122520069) has the molecular formula C14H26O9 and a molecular weight of 338.35 g/mol. Its IUPAC name is (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID122520069
Molecular FormulaC14H26O9
Molecular Weight338.35 g/mol
Exact Mass338.16
IUPAC Name(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2CC(O)[C@H](C)C(CO)O2)C(O)C1O
InChIInChI=1S/C14H26O9/c1-6-7(17)3-10(21-8(6)4-15)23-13-9(5-16)22-14(20-2)12(19)11(13)18/h6-19H,3-5H2,1-2H3/t6-,7?,8?,9-,10-,11?,12?,13+,14+/m0/s1
InChIKeyKAJANAZGJOXVBD-FKWZTVOYSA-N
XLogP-2.44
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol with MolForge

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Related Compounds

(2S,3S,5S)-2-[(2S,3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-5-methyloxane-3,4-diol
CID 131971000
(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-2-methoxy-5-methyloxane-3,4-diol
CID 162222185
(2S,3R,4R,5S,6S)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 93233211
(2S,4S,5R)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 158464643
(2R,5S)-2-[(3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71132378
(2R,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59360925
(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124789581
(2R,3S,4S,5S,6R)-2-[(2R,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102602594
(2R,4S,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69030583
(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

Frequently Asked Questions

What is the IUPAC name of (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (CID 122520069) is (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is CO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2CC(O)[C@H](C)C(CO)O2)C(O)C1O.
What is the InChIKey of (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is KAJANAZGJOXVBD-FKWZTVOYSA-N. The full InChI is InChI=1S/C14H26O9/c1-6-7(17)3-10(21-8(6)4-15)23-13-9(5-16)22-14(20-2)12(19)11(13)18/h6-19H,3-5H2,1-2H3/t6-,7?,8?,9-,10-,11?,12?,13+,14+/m0/s1.
What are the key properties of (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
(2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol has a molecular weight of 338.35 g/mol, XLogP of -2.44, 5 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S,6S)-5-[(2S,5S)-4-hydroxy-6-(hydroxymethyl)-5-methyloxan-2-yl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 122520069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).