(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol

C8H18O5 — CID 88926803

IUPAC(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol
SMILESCC(C)OC(CO)[C@@H](O)C(O)CO
InChIInChI=1S/C8H18O5/c1-5(2)13-7(4-10)8(12)6(11)3-9/h5-12H,3-4H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyWTTPTYHIDWYEMX-RRQHEKLDSA-N
MW194.23 g/mol
LogP-1.51
Rot. Bonds6

About (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol

(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol (PubChem CID 88926803) has the molecular formula C8H18O5 and a molecular weight of 194.23 g/mol. Its IUPAC name is (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol.

Molecular Properties

Compound Name(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol
PubChem CID88926803
Molecular FormulaC8H18O5
Molecular Weight194.23 g/mol
Exact Mass194.12
IUPAC Name(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol
SMILESCC(C)OC(CO)[C@@H](O)C(O)CO
InChIInChI=1S/C8H18O5/c1-5(2)13-7(4-10)8(12)6(11)3-9/h5-12H,3-4H2,1-2H3/t6?,7?,8-/m0/s1
InChIKeyWTTPTYHIDWYEMX-RRQHEKLDSA-N
XLogP-1.51
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-1.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-propan-2-yloxypentane-1,3-diol
CID 58078764
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2R,3S,4R,5R)-2,4,5,6-tetrahydroxy-3-propan-2-yloxyhexanal
CID 135149067
(3R,4R)-4-[(1R,2S)-2-hydroxy-1-(oxiran-2-yloxy)propoxy]pentane-1,2,3,5-tetrol
CID 89403321
(2R,3R)-3-propan-2-ylperoxybutane-1,2,4-triol
CID 174720199
(2S,3S)-4-(methoxymethoxy)pentane-1,2,3,5-tetrol
CID 89333893
(3R,4R)-pentane-1,2,3,4-tetrol
CID 89370817
hexane-1,2,3,4,5,6-hexol;methanol
CID 174767977
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085
(2R,5S)-hexane-1,2,3,4,5,6-hexol
CID 88909362
(2R,3S,4S,5R)-hexane-1,2,3,4,5,6-hexol;(2R,3S,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 87912891
(2S,3S,4S,5S)-hexane-1,2,3,4,5,6-hexol;(2R,3R,4R,5R)-hexane-1,2,3,4,5,6-hexol
CID 135394797

Frequently Asked Questions

What is the IUPAC name of (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol?
The IUPAC name of (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol (CID 88926803) is (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol.
What is the SMILES notation for (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol?
The canonical SMILES for (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol is CC(C)OC(CO)[C@@H](O)C(O)CO.
What is the InChIKey of (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol?
The InChIKey is WTTPTYHIDWYEMX-RRQHEKLDSA-N. The full InChI is InChI=1S/C8H18O5/c1-5(2)13-7(4-10)8(12)6(11)3-9/h5-12H,3-4H2,1-2H3/t6?,7?,8-/m0/s1.
What are the key properties of (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol?
(3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol has a molecular weight of 194.23 g/mol, XLogP of -1.51, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-propan-2-yloxypentane-1,2,3,5-tetrol is sourced from PubChem (CID 88926803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).