2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol

C16H32O11 — CID 126968510

IUPAC2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
SMILESOCCOC[C@H]1O[C@H](OCCO)[C@H](OCCO)[C@@H](OCCO)[C@H]1OCCO
InChIInChI=1S/C16H32O11/c17-1-6-22-11-12-13(23-7-2-18)14(24-8-3-19)15(25-9-4-20)16(27-12)26-10-5-21/h12-21H,1-11H2/t12-,13+,14+,15-,16+/m1/s1
InChIKeyBWVCVZYWCNNQME-CWVYHPPDSA-N
MW400.42 g/mol
LogP-3.14
Rot. Bonds16

About 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol

2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol (PubChem CID 126968510) has the molecular formula C16H32O11 and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol.

Molecular Properties

Compound Name2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
PubChem CID126968510
Molecular FormulaC16H32O11
Molecular Weight400.42 g/mol
Exact Mass400.19
IUPAC Name2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol
SMILESOCCOC[C@H]1O[C@H](OCCO)[C@H](OCCO)[C@@H](OCCO)[C@H]1OCCO
InChIInChI=1S/C16H32O11/c17-1-6-22-11-12-13(23-7-2-18)14(24-8-3-19)15(25-9-4-20)16(27-12)26-10-5-21/h12-21H,1-11H2/t12-,13+,14+,15-,16+/m1/s1
InChIKeyBWVCVZYWCNNQME-CWVYHPPDSA-N
XLogP-3.14
TPSA156.53 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.42
LogP ≤ 5-3.14
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol with MolForge

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Related Compounds

2-[[3,4,5-tris(2-hydroxyethoxy)-6-methoxyoxan-2-yl]methoxy]ethanol
CID 19991269
3-[[(2R,3R,4S,5R,6R)-6-(2-azidoethoxy)-3,4,5-tris(3-hydroxypropoxy)oxan-2-yl]methoxy]propan-1-ol
CID 132555534
3-[2,3,5-tris(2-hydroxyethoxy)-6-[2-(sulfanylmethoxy)ethoxymethyl]oxan-4-yl]propan-1-ol
CID 146588314
5-(2-hydroxyethoxy)-2-(2-hydroxyethoxymethyl)-6-methoxy-3-methyloxan-4-ol
CID 130303988
2-[(2R,3R,4S,5R,6R)-3,4,5-trimethoxy-6-(methoxymethyl)oxan-2-yl]oxyethanol
CID 129030971
2-[3-[[(2R,3R,4S,5R,6S)-3,4,5,6-tetrakis[3-(2-sulfoethylsulfanyl)propoxy]oxan-2-yl]methoxy]propylsulfanyl]ethanesulfonic acid
CID 10748695
dibutyl 2-[3-[3,4,5-tributoxy-6-(butoxymethyl)oxan-2-yl]oxypropyl]propanedioate
CID 71199347
(2R,3S,4S,5R,6S)-2-(2-hydroxyethoxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(2-hydroxyethoxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
CID 138394257
N-sulfanyl-4-[3,4,5-tris(4-methoxybutoxy)-6-(4-methoxybutoxymethyl)oxan-2-yl]oxybutanamide
CID 58658289
(2R,3S,4S,5R,6S)-2-(2-hydroxyethoxymethyl)-6-octoxyoxane-3,4,5-triol
CID 66765447
2-[[(2R,3S,4S,5R,6S)-3,4,5-tris(phenylmethoxy)-6-phenylsulfanyloxan-2-yl]methoxy]ethanol
CID 11512651
(2S,3R,4S,5R,6R)-2,3,4,5-tetrakis(2-methylpropoxy)-6-[[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-[2-[(2S,3R,4S,5R,6R)-3,4,5-tris(2-methylpropoxy)-6-(2-methylpropoxymethyl)oxan-2-yl]oxyethyl]oxan-2-yl]oxymethyl]oxane
CID 155602462

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol?
The IUPAC name of 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol (CID 126968510) is 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol.
What is the SMILES notation for 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol?
The canonical SMILES for 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol is OCCOC[C@H]1O[C@H](OCCO)[C@H](OCCO)[C@@H](OCCO)[C@H]1OCCO.
What is the InChIKey of 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol?
The InChIKey is BWVCVZYWCNNQME-CWVYHPPDSA-N. The full InChI is InChI=1S/C16H32O11/c17-1-6-22-11-12-13(23-7-2-18)14(24-8-3-19)15(25-9-4-20)16(27-12)26-10-5-21/h12-21H,1-11H2/t12-,13+,14+,15-,16+/m1/s1.
What are the key properties of 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol?
2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol has a molecular weight of 400.42 g/mol, XLogP of -3.14, 16 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(2-hydroxyethoxy)oxan-2-yl]methoxy]ethanol is sourced from PubChem (CID 126968510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).