(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol

C13H26O6 — CID 102096103

IUPAC(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
SMILESCCCCCCCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-8-9-10(14)11(15)12(16)13(17)19-9/h9-17H,2-8H2,1H3/t9-,10+,11+,12-,13+/m1/s1
InChIKeyFNVTWRKTLTUGFF-SJHCENCUSA-N
MW278.34 g/mol
LogP-0.23
Rot. Bonds8

About (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol

(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 102096103) has the molecular formula C13H26O6 and a molecular weight of 278.34 g/mol. Its IUPAC name is (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID102096103
Molecular FormulaC13H26O6
Molecular Weight278.34 g/mol
Exact Mass278.17
IUPAC Name(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol
SMILESCCCCCCCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
InChIInChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-8-9-10(14)11(15)12(16)13(17)19-9/h9-17H,2-8H2,1H3/t9-,10+,11+,12-,13+/m1/s1
InChIKeyFNVTWRKTLTUGFF-SJHCENCUSA-N
XLogP-0.23
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 5-0.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R,4S,5R,6R)-6-(4-dodecoxybutoxymethyl)oxane-2,3,4,5-tetrol
CID 71653726
(2R,3S,4S,5S)-2-(hydroxymethyl)-5-(octoxymethyl)oxolane-3,4-diol
CID 22213643
(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-6-(hexadecoxymethoxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,4-triol
CID 175685399
[(2R,3S,4R,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl octanoate
CID 101360009
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl dodecanoate
CID 10193765
4-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]butane-1-sulfonic acid
CID 155641941
(2R,3S,4S,5R,6S)-2-(2-hydroxyethoxymethyl)-6-octoxyoxane-3,4,5-triol
CID 66765447
[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hexanoate
CID 102094451
[(2R,3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl tetradecanoate
CID 118561897
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl 2-hydroxyoctanoate
CID 10805778
(2R,3S,4R)-6-pentoxy-2-(pentoxymethyl)oxane-3,4-diol
CID 121434694
(2S,3R,4S,5R,6S)-6-(hexadecylsulfanylmethyl)oxane-2,3,4,5-tetrol
CID 100973213

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol (CID 102096103) is (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol is CCCCCCCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is FNVTWRKTLTUGFF-SJHCENCUSA-N. The full InChI is InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-8-9-10(14)11(15)12(16)13(17)19-9/h9-17H,2-8H2,1H3/t9-,10+,11+,12-,13+/m1/s1.
What are the key properties of (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol?
(2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 278.34 g/mol, XLogP of -0.23, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R,6R)-6-(heptoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 102096103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).