(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol

C14H26O10 — CID 121356773

IUPAC(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol
SMILESCC(C)C[C@H]1O[C@@](O)(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H26O10/c1-5(2)3-6-9(17)12(20)14(21,23-6)24-13-11(19)10(18)8(16)7(4-15)22-13/h5-13,15-21H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11-,12+,13?,14-/m1/s1
InChIKeyMUFZSFZGAKOXJJ-NIRFLWSISA-N
MW354.35 g/mol
LogP-3.38
Rot. Bonds5

About (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol

(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol (PubChem CID 121356773) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol
PubChem CID121356773
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol
SMILESCC(C)C[C@H]1O[C@@](O)(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H26O10/c1-5(2)3-6-9(17)12(20)14(21,23-6)24-13-11(19)10(18)8(16)7(4-15)22-13/h5-13,15-21H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11-,12+,13?,14-/m1/s1
InChIKeyMUFZSFZGAKOXJJ-NIRFLWSISA-N
XLogP-3.38
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 5-3.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol with MolForge

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Related Compounds

(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-[(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,3,4,5-tetrol
CID 175420137
2-[3,4-dihydroxy-5-(hydroxymethyl)-2-[[2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 78391302
(2S,3S,4S,5S,6R)-2-methoxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 171126940
(3R,5S)-2-[(5R)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-methylpropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 143276413
2-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 170923599
(3R,4S,5R,6R)-2-[(2S,3S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 6326101
(3S,4R,5R,6S)-2-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156614239
(2R,3S,4S,5S,6S)-2-[(2S,3R,4R,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 94011386
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 173264286
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(1R)-1-hydroxyethyl]-2-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 156618019

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol (CID 121356773) is (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol is CC(C)C[C@H]1O[C@@](O)(OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
The InChIKey is MUFZSFZGAKOXJJ-NIRFLWSISA-N. The full InChI is InChI=1S/C14H26O10/c1-5(2)3-6-9(17)12(20)14(21,23-6)24-13-11(19)10(18)8(16)7(4-15)22-13/h5-13,15-21H,3-4H2,1-2H3/t6-,7-,8-,9-,10+,11-,12+,13?,14-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol?
(2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol has a molecular weight of 354.35 g/mol, XLogP of -3.38, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-2-(hydroxymethyl)-6-[(2R,3S,4S,5R)-2,3,4-trihydroxy-5-(2-methylpropyl)oxolan-2-yl]oxyoxane-3,4,5-triol is sourced from PubChem (CID 121356773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).