(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol

C16H32O5 — CID 121434694

IUPAC(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
SMILESCCCCCOC[C@H]1OC(OCCCCC)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H32O5/c1-3-5-7-9-19-12-14-16(18)13(17)11-15(21-14)20-10-8-6-4-2/h13-18H,3-12H2,1-2H3/t13-,14-,15?,16+/m1/s1
InChIKeyIUDBBSMMEDMENH-GXRBRPDZSA-N
MW304.43 g/mol
LogP2.24
Rot. Bonds11

About (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol

(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol (PubChem CID 121434694) has the molecular formula C16H32O5 and a molecular weight of 304.43 g/mol. Its IUPAC name is (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
PubChem CID121434694
Molecular FormulaC16H32O5
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
SMILESCCCCCOC[C@H]1OC(OCCCCC)C[C@@H](O)[C@@H]1O
InChIInChI=1S/C16H32O5/c1-3-5-7-9-19-12-14-16(18)13(17)11-15(21-14)20-10-8-6-4-2/h13-18H,3-12H2,1-2H3/t13-,14-,15?,16+/m1/s1
InChIKeyIUDBBSMMEDMENH-GXRBRPDZSA-N
XLogP2.24
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(hydroxymethyl)-6-pentoxyoxane-3,4-diol
CID 145127293
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-undecoxyoxane-3,4-diol
CID 102481563
ethane;6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol
CID 144627259
(2R,3S,4S,5S,6S)-2-[[(2S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-octoxyoxane-3,4,5-triol
CID 102216909
[(2R,3S,4R,6S)-3,4-dihydroxy-6-octoxyoxan-2-yl]methyl 4-methylbenzenesulfonate
CID 71614744
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
CID 102096103
2-(hydroxymethyl)-6-propoxyoxane-3,4-diol
CID 154980808
3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 77157010
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(octoxymethyl)oxolane-3,4-diol
CID 22213643
(3R,4R,5R)-3,4-dibutoxy-5-(butoxymethyl)oxolan-2-ol
CID 66641660
(2S,3R,4S,5R,6R)-6-(4-dodecoxybutoxymethyl)oxane-2,3,4,5-tetrol
CID 71653726
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)-3,4-bis(phenylmethoxy)oxane
CID 121434659

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol?
The IUPAC name of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol (CID 121434694) is (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol.
What is the SMILES notation for (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol?
The canonical SMILES for (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol is CCCCCOC[C@H]1OC(OCCCCC)C[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol?
The InChIKey is IUDBBSMMEDMENH-GXRBRPDZSA-N. The full InChI is InChI=1S/C16H32O5/c1-3-5-7-9-19-12-14-16(18)13(17)11-15(21-14)20-10-8-6-4-2/h13-18H,3-12H2,1-2H3/t13-,14-,15?,16+/m1/s1.
What are the key properties of (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol?
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol has a molecular weight of 304.43 g/mol, XLogP of 2.24, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol is sourced from PubChem (CID 121434694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).