(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol

C12H22O9 — CID 18666984

IUPAC(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
SMILESC[C@H]1OC(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O9/c1-3-5(14)7(16)9(18)11(20-3)12-10(19)8(17)6(15)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4-,5-,6+,7+,8+,9+,10-,11?,12?/m1/s1
InChIKeyYIAMADXYHDUALX-KPEYSWAZSA-N
MW310.30 g/mol
LogP-4.30
Rot. Bonds2

About (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol

(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol (PubChem CID 18666984) has the molecular formula C12H22O9 and a molecular weight of 310.30 g/mol. Its IUPAC name is (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
PubChem CID18666984
Molecular FormulaC12H22O9
Molecular Weight310.30 g/mol
Exact Mass310.13
IUPAC Name(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
SMILESC[C@H]1OC(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H22O9/c1-3-5(14)7(16)9(18)11(20-3)12-10(19)8(17)6(15)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4-,5-,6+,7+,8+,9+,10-,11?,12?/m1/s1
InChIKeyYIAMADXYHDUALX-KPEYSWAZSA-N
XLogP-4.30
TPSA160.07 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.30
LogP ≤ 5-4.30
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

Analyze (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 118332787
(3R,4R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 67472419
(3R,4S,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 89126966
(2R,3R,4R,5R,6R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59116084
(4R,5R)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 143617458
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol
CID 54179921
actinium;(3R,6S)-2-(hydroxymethyl)-6-methyloxane-3,4,5-triol
CID 59934625
(3S,4R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59039787
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 59795634
(3S,4S)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 146299921
(2R,4R,5R)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 157377669
(2R,3S,4S,5S,6S)-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 123922812

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol (CID 18666984) is (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol is C[C@H]1OC(C2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol?
The InChIKey is YIAMADXYHDUALX-KPEYSWAZSA-N. The full InChI is InChI=1S/C12H22O9/c1-3-5(14)7(16)9(18)11(20-3)12-10(19)8(17)6(15)4(2-13)21-12/h3-19H,2H2,1H3/t3-,4-,5-,6+,7+,8+,9+,10-,11?,12?/m1/s1.
What are the key properties of (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol?
(2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol has a molecular weight of 310.30 g/mol, XLogP of -4.30, 2 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S)-2-methyl-6-[(3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxane-3,4,5-triol is sourced from PubChem (CID 18666984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).