(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol

C24H42O12 — CID 156615582

IUPAC(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](O[C@H]3[C@H](O)C[C@H](O)O[C@@H]3C)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C24H42O12/c1-10-16(34-20-8-14(25)22(28)11(2)32-20)5-6-19(31-10)35-17-9-21(33-12(3)23(17)29)36-24-13(4)30-18(27)7-15(24)26/h10-29H,5-9H2,1-4H3/t10-,11+,12+,13+,14+,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+/m0/s1
InChIKeyUAPFOQISRKKXOW-DTYDKPLXSA-N
MW522.59 g/mol
LogP-0.49
Rot. Bonds6

About (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol

(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol (PubChem CID 156615582) has the molecular formula C24H42O12 and a molecular weight of 522.59 g/mol. Its IUPAC name is (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol.

Molecular Properties

Compound Name(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
PubChem CID156615582
Molecular FormulaC24H42O12
Molecular Weight522.59 g/mol
Exact Mass522.27
IUPAC Name(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol
SMILESC[C@@H]1O[C@@H](O[C@@H]2C[C@H](O[C@H]3[C@H](O)C[C@H](O)O[C@@H]3C)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1
InChIInChI=1S/C24H42O12/c1-10-16(34-20-8-14(25)22(28)11(2)32-20)5-6-19(31-10)35-17-9-21(33-12(3)23(17)29)36-24-13(4)30-18(27)7-15(24)26/h10-29H,5-9H2,1-4H3/t10-,11+,12+,13+,14+,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+/m0/s1
InChIKeyUAPFOQISRKKXOW-DTYDKPLXSA-N
XLogP-0.49
TPSA165.76 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.59
LogP ≤ 5-0.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
The IUPAC name of (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol (CID 156615582) is (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol.
What is the SMILES notation for (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
The canonical SMILES for (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol is C[C@@H]1O[C@@H](O[C@@H]2C[C@H](O[C@H]3[C@H](O)C[C@H](O)O[C@@H]3C)O[C@H](C)[C@H]2O)CC[C@@H]1O[C@H]1C[C@@H](O)[C@H](O)[C@@H](C)O1.
What is the InChIKey of (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
The InChIKey is UAPFOQISRKKXOW-DTYDKPLXSA-N. The full InChI is InChI=1S/C24H42O12/c1-10-16(34-20-8-14(25)22(28)11(2)32-20)5-6-19(31-10)35-17-9-21(33-12(3)23(17)29)36-24-13(4)30-18(27)7-15(24)26/h10-29H,5-9H2,1-4H3/t10-,11+,12+,13+,14+,15+,16-,17+,18+,19-,20-,21-,22+,23+,24+/m0/s1.
What are the key properties of (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol?
(2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol has a molecular weight of 522.59 g/mol, XLogP of -0.49, 6 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S,6R)-5-[(2S,4R,5R,6R)-4-[(2S,5S,6S)-5-[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxane-2,4-diol is sourced from PubChem (CID 156615582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).