(4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal

C14H28O10 — CID 89155701

IUPAC(4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal
SMILESCO[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.CO[C@@H]1CC(O)O[C@@H](C)[C@H]1O
InChIInChI=1S/C7H14O6.C7H14O4/c1-13-5(3-9)7(12)6(11)4(10)2-8;1-4-7(9)5(10-2)3-6(8)11-4/h3-8,10-12H,2H2,1H3;4-9H,3H2,1-2H3/t4-,5+,6-,7-;4-,5+,6?,7+/m10/s1
InChIKeyWQTSJFJNLIUBEN-ACZUABCTSA-N
MW356.37 g/mol
LogP-3.24
Rot. Bonds7

About (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal

(4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal (PubChem CID 89155701) has the molecular formula C14H28O10 and a molecular weight of 356.37 g/mol. Its IUPAC name is (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal.

Molecular Properties

Compound Name(4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal
PubChem CID89155701
Molecular FormulaC14H28O10
Molecular Weight356.37 g/mol
Exact Mass356.17
IUPAC Name(4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal
SMILESCO[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.CO[C@@H]1CC(O)O[C@@H](C)[C@H]1O
InChIInChI=1S/C7H14O6.C7H14O4/c1-13-5(3-9)7(12)6(11)4(10)2-8;1-4-7(9)5(10-2)3-6(8)11-4/h3-8,10-12H,2H2,1H3;4-9H,3H2,1-2H3/t4-,5+,6-,7-;4-,5+,6?,7+/m10/s1
InChIKeyWQTSJFJNLIUBEN-ACZUABCTSA-N
XLogP-3.24
TPSA166.14 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 5-3.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91859049
(4R,5S,6S)-5-[(2S,4R,5S,6S)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91852368
(4R,5S,6S)-5-[(2S,4R,5S,6S)-5-[(2R,4R,5S,6S)-5-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91846452
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-[(2S,4R,5R,6R)-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91851289
(4S,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 91852058
(2S,4R,5R,6R)-5-[(2R,4R,5R,6R)-5-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-ol
CID 102031977
3,5,6-trihydroxy-2,4-dimethoxyhexanal
CID 14259031
(2R,3S,4R,5R)-3,5,6-trihydroxy-2,4-bis[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy]hexanal
CID 89454391
(2R,3R,4R,5R)-4-fluoro-3,5,6-trihydroxy-2-methoxyhexanal
CID 87895120
(2R)-6-(hydroxymethyl)-4-methoxy-2-methyloxan-3-ol
CID 129171598
3,4,5,6-tetrahydroxy-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal
CID 135370624
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl] 2-oxopropanoate
CID 22823528

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal?
The IUPAC name of (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal (CID 89155701) is (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal.
What is the SMILES notation for (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal?
The canonical SMILES for (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal is CO[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO.CO[C@@H]1CC(O)O[C@@H](C)[C@H]1O.
What is the InChIKey of (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal?
The InChIKey is WQTSJFJNLIUBEN-ACZUABCTSA-N. The full InChI is InChI=1S/C7H14O6.C7H14O4/c1-13-5(3-9)7(12)6(11)4(10)2-8;1-4-7(9)5(10-2)3-6(8)11-4/h3-8,10-12H,2H2,1H3;4-9H,3H2,1-2H3/t4-,5+,6-,7-;4-,5+,6?,7+/m10/s1.
What are the key properties of (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal?
(4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal has a molecular weight of 356.37 g/mol, XLogP of -3.24, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6S)-4-methoxy-6-methyloxane-2,5-diol;(2R,3S,4R,5R)-3,4,5,6-tetrahydroxy-2-methoxyhexanal is sourced from PubChem (CID 89155701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).