2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O11 — CID 139318864

IUPAC2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(COCC2C(CO)O[C@@](O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C14H26O11/c15-1-7-6(13(21)14(22,5-17)25-7)3-23-4-9-11(19)12(20)10(18)8(2-16)24-9/h6-13,15-22H,1-5H2/t6?,7?,8?,9?,10?,11?,12?,13?,14-/m0/s1
InChIKeyIDONTDZDDGYSFP-HTQYJPJMSA-N
MW370.35 g/mol
LogP-5.11
Rot. Bonds7

About 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol

2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 139318864) has the molecular formula C14H26O11 and a molecular weight of 370.35 g/mol. Its IUPAC name is 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID139318864
Molecular FormulaC14H26O11
Molecular Weight370.35 g/mol
Exact Mass370.15
IUPAC Name2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESOCC1OC(COCC2C(CO)O[C@@](O)(CO)C2O)C(O)C(O)C1O
InChIInChI=1S/C14H26O11/c15-1-7-6(13(21)14(22,5-17)25-7)3-23-4-9-11(19)12(20)10(18)8(2-16)24-9/h6-13,15-22H,1-5H2/t6?,7?,8?,9?,10?,11?,12?,13?,14-/m0/s1
InChIKeyIDONTDZDDGYSFP-HTQYJPJMSA-N
XLogP-5.11
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500370.35
LogP ≤ 5-5.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

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Related Compounds

(2R,4R,5R)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,4R,5S)-6-(hydroxymethyl)oxane-2,3,4,5-tetrol;(2R,4R,5S)-6-(hydroxymethyl)-5-[[(2S,4R,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]methoxymethyl]oxane-2,3,4-triol
CID 160641799
(2S,4S,5R)-2-[[(3R,4S,6S)-6-[[(2S,4S,5S)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]methoxymethyl]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59782475
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70152733
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;cyclohexane-1,2,3,4,5,6-hexol
CID 67600990
(2S,3S,4S,5S,6S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71720259
2-[[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 20607164
(2S,3S,4R,5S,6S)-2-[(2S,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 99721432
(2R,3S,4R,5R,6S)-2-[(2S,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124905361
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122173797
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102486295
(2S,4R,5S)-2-[[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methyloxan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 129087463

Frequently Asked Questions

What is the IUPAC name of 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 139318864) is 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is OCC1OC(COCC2C(CO)O[C@@](O)(CO)C2O)C(O)C(O)C1O.
What is the InChIKey of 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is IDONTDZDDGYSFP-HTQYJPJMSA-N. The full InChI is InChI=1S/C14H26O11/c15-1-7-6(13(21)14(22,5-17)25-7)3-23-4-9-11(19)12(20)10(18)8(2-16)24-9/h6-13,15-22H,1-5H2/t6?,7?,8?,9?,10?,11?,12?,13?,14-/m0/s1.
What are the key properties of 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 370.35 g/mol, XLogP of -5.11, 7 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]methoxymethyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 139318864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).