(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

C15H26O9 — CID 56683097

IUPAC(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=CCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O9/c1-2-3-4-5-21-14-13(20)11(18)9(24-14)7-22-15-12(19)10(17)8(6-16)23-15/h2,8-20H,1,3-7H2/t8-,9-,10-,11-,12+,13+,14+,15+/m1/s1
InChIKeyWEBOGJPSZGHJKS-QTRYOLNXSA-N
MW350.36 g/mol
LogP-2.13
Rot. Bonds9

About (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol

(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 56683097) has the molecular formula C15H26O9 and a molecular weight of 350.36 g/mol. Its IUPAC name is (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID56683097
Molecular FormulaC15H26O9
Molecular Weight350.36 g/mol
Exact Mass350.16
IUPAC Name(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESC=CCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C15H26O9/c1-2-3-4-5-21-14-13(20)11(18)9(24-14)7-22-15-12(19)10(17)8(6-16)23-15/h2,8-20H,1,3-7H2/t8-,9-,10-,11-,12+,13+,14+,15+/m1/s1
InChIKeyWEBOGJPSZGHJKS-QTRYOLNXSA-N
XLogP-2.13
TPSA138.07 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264112
(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-prop-2-enoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101264111
2-[(5-decoxy-3,4-dihydroxyoxolan-2-yl)methoxy]-5-(hydroxymethyl)oxolane-3,4-diol
CID 545993
(2S,3S,4S,5S,6R)-2-[[(2R,3S,4S,5R)-5-(8-aminooctoxy)-3,4-dihydroxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 101248104
2-[[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-hexoxyoxane-3,4,5-triol
CID 131751182
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91854285
(3S,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91846624
(3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 22524354
(2R,3S,4S,5R,6S)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162942189
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 171124046
(3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 91855345
(3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 25193858

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol (CID 56683097) is (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol is C=CCCCO[C@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is WEBOGJPSZGHJKS-QTRYOLNXSA-N. The full InChI is InChI=1S/C15H26O9/c1-2-3-4-5-21-14-13(20)11(18)9(24-14)7-22-15-12(19)10(17)8(6-16)23-15/h2,8-20H,1,3-7H2/t8-,9-,10-,11-,12+,13+,14+,15+/m1/s1.
What are the key properties of (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol?
(2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 350.36 g/mol, XLogP of -2.13, 9 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5R)-2-[[(2R,3S,4S,5S)-3,4-dihydroxy-5-pent-4-enoxyoxolan-2-yl]methoxy]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 56683097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).