(2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol

C15H30O9 — CID 139591154

IUPAC(2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol
SMILESCO[C@H]1O[C@H](C)[C@@](O)([C@@H](C[C@H](O)[C@H](O)[C@@H](C)O)OC)[C@@H](OC)[C@H]1O
InChIInChI=1S/C15H30O9/c1-7(16)11(18)9(17)6-10(21-3)15(20)8(2)24-14(23-5)12(19)13(15)22-4/h7-14,16-20H,6H2,1-5H3/t7-,8-,9+,10-,11-,12-,13+,14+,15-/m1/s1
InChIKeyAIJURRQOFYUHCO-QZPKKOLPSA-N
MW354.40 g/mol
LogP-2.01
Rot. Bonds8

About (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol

(2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol (PubChem CID 139591154) has the molecular formula C15H30O9 and a molecular weight of 354.40 g/mol. Its IUPAC name is (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol.

Molecular Properties

Compound Name(2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol
PubChem CID139591154
Molecular FormulaC15H30O9
Molecular Weight354.40 g/mol
Exact Mass354.19
IUPAC Name(2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol
SMILESCO[C@H]1O[C@H](C)[C@@](O)([C@@H](C[C@H](O)[C@H](O)[C@@H](C)O)OC)[C@@H](OC)[C@H]1O
InChIInChI=1S/C15H30O9/c1-7(16)11(18)9(17)6-10(21-3)15(20)8(2)24-14(23-5)12(19)13(15)22-4/h7-14,16-20H,6H2,1-5H3/t7-,8-,9+,10-,11-,12-,13+,14+,15-/m1/s1
InChIKeyAIJURRQOFYUHCO-QZPKKOLPSA-N
XLogP-2.01
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.40
LogP ≤ 5-2.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Analyze (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol?
The IUPAC name of (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol (CID 139591154) is (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol.
What is the SMILES notation for (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol?
The canonical SMILES for (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol is CO[C@H]1O[C@H](C)[C@@](O)([C@@H](C[C@H](O)[C@H](O)[C@@H](C)O)OC)[C@@H](OC)[C@H]1O.
What is the InChIKey of (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol?
The InChIKey is AIJURRQOFYUHCO-QZPKKOLPSA-N. The full InChI is InChI=1S/C15H30O9/c1-7(16)11(18)9(17)6-10(21-3)15(20)8(2)24-14(23-5)12(19)13(15)22-4/h7-14,16-20H,6H2,1-5H3/t7-,8-,9+,10-,11-,12-,13+,14+,15-/m1/s1.
What are the key properties of (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol?
(2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol has a molecular weight of 354.40 g/mol, XLogP of -2.01, 8 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,6R)-6-[(2R,3R,4S,5R,6S)-3,5-dihydroxy-4,6-dimethoxy-2-methyloxan-3-yl]-6-methoxyhexane-2,3,4-triol is sourced from PubChem (CID 139591154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).