(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol

C16H24O10 — CID 102252289

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol
SMILESC[C@@]12O[C@@H]1[C@@H]1OC[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H](O)[C@H]2[C@@H]31
InChIInChI=1S/C16H24O10/c1-16-7-6-4(3-22-11(6)12(16)26-16)14(24-13(7)21)25-15-10(20)9(19)8(18)5(2-17)23-15/h4-15,17-21H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13+,14-,15-,16-/m0/s1
InChIKeyUCKVOYDKXYNCPP-QSZOWMLLSA-N
MW376.36 g/mol
LogP-3.10
Rot. Bonds3

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol (PubChem CID 102252289) has the molecular formula C16H24O10 and a molecular weight of 376.36 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol
PubChem CID102252289
Molecular FormulaC16H24O10
Molecular Weight376.36 g/mol
Exact Mass376.14
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol
SMILESC[C@@]12O[C@@H]1[C@@H]1OC[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H](O)[C@H]2[C@@H]31
InChIInChI=1S/C16H24O10/c1-16-7-6-4(3-22-11(6)12(16)26-16)14(24-13(7)21)25-15-10(20)9(19)8(18)5(2-17)23-15/h4-15,17-21H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13+,14-,15-,16-/m0/s1
InChIKeyUCKVOYDKXYNCPP-QSZOWMLLSA-N
XLogP-3.10
TPSA150.60 Ų
H-Bond Donors5
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 5-3.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol (CID 102252289) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol is C[C@@]12O[C@@H]1[C@@H]1OC[C@@H]3[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)O[C@@H](O)[C@H]2[C@@H]31.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol?
The InChIKey is UCKVOYDKXYNCPP-QSZOWMLLSA-N. The full InChI is InChI=1S/C16H24O10/c1-16-7-6-4(3-22-11(6)12(16)26-16)14(24-13(7)21)25-15-10(20)9(19)8(18)5(2-17)23-15/h4-15,17-21H,2-3H2,1H3/t4-,5+,6+,7+,8+,9-,10+,11+,12+,13+,14-,15-,16-/m0/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol has a molecular weight of 376.36 g/mol, XLogP of -3.10, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1S,2S,4R,5R,8R,9S,11R,12R)-11-hydroxy-2-methyl-3,6,10-trioxatetracyclo[6.3.1.02,4.05,12]dodecan-9-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 102252289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).