(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol

C10H20O5 — CID 70508111

IUPAC(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol
SMILESCCCCC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O5/c1-2-3-4-5-10(14)9(13)8(12)7(11)6-15-10/h7-9,11-14H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyCIEIXYDVCUCRJS-UTINFBMNSA-N
MW220.26 g/mol
LogP-0.63
Rot. Bonds4

About (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol

(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol (PubChem CID 70508111) has the molecular formula C10H20O5 and a molecular weight of 220.26 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol
PubChem CID70508111
Molecular FormulaC10H20O5
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol
SMILESCCCCC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C10H20O5/c1-2-3-4-5-10(14)9(13)8(12)7(11)6-15-10/h7-9,11-14H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1
InChIKeyCIEIXYDVCUCRJS-UTINFBMNSA-N
XLogP-0.63
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R,4S,5R)-2-(hexoxymethyl)oxane-2,3,4,5-tetrol
CID 57069557
(2R,3R,4R,5R)-2-ethyloxane-2,3,4,5-tetrol
CID 118332812
(2R,3S,4S,5R)-2-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 56657680
(2R,3R,4S,5R)-2-[11-ethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]octadecyl]oxane-2,3,4,5-tetrol
CID 70482183
(2S,3R,4S,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 6971021
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4R,5R)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 22814148
(3S,5S)-2-(aminomethyl)oxane-2,3,4,5-tetrol
CID 45357378
[(2S,3S,4R,5R)-2,3,4,5-tetrahydroxy(213C)oxan-2-yl]methyl dihydrogen phosphate
CID 52916946
[(3S,4S,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl dihydrogen phosphate
CID 14010979
(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol
CID 57118345

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol (CID 70508111) is (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol is CCCCC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol?
The InChIKey is CIEIXYDVCUCRJS-UTINFBMNSA-N. The full InChI is InChI=1S/C10H20O5/c1-2-3-4-5-10(14)9(13)8(12)7(11)6-15-10/h7-9,11-14H,2-6H2,1H3/t7-,8+,9-,10-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol?
(2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol has a molecular weight of 220.26 g/mol, XLogP of -0.63, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-pentyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 70508111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).