(2S,3S)-decane-1,2,3-triol

C10H22O3 — CID 12619492

IUPAC(2S,3S)-decane-1,2,3-triol
SMILESCCCCCCC[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H22O3/c1-2-3-4-5-6-7-9(12)10(13)8-11/h9-13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyNRQTTYGIVFAJLQ-UWVGGRQHSA-N
MW190.28 g/mol
LogP1.06
Rot. Bonds8

About (2S,3S)-decane-1,2,3-triol

(2S,3S)-decane-1,2,3-triol (PubChem CID 12619492) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is (2S,3S)-decane-1,2,3-triol.

Molecular Properties

Compound Name(2S,3S)-decane-1,2,3-triol
PubChem CID12619492
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name(2S,3S)-decane-1,2,3-triol
SMILESCCCCCCC[C@H](O)[C@@H](O)CO
InChIInChI=1S/C10H22O3/c1-2-3-4-5-6-7-9(12)10(13)8-11/h9-13H,2-8H2,1H3/t9-,10-/m0/s1
InChIKeyNRQTTYGIVFAJLQ-UWVGGRQHSA-N
XLogP1.06
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-undecane-1,2,3-triol
CID 15641124
nonacosane-14,15-diol
CID 91509633
(8S,9S,12R,13R)-icosane-8,9,12,13-tetrol
CID 88872017
(2S,3R,4R,5R)-nonadecane-1,2,3,4,5-pentol
CID 135030850
octanoic acid;tridecane-1,2,3-triol
CID 162007847
pentadecane-4,5-diol
CID 103454846
heptane-1,2,3-triol;propane-1,2,3-triol
CID 141381425
dodecane-1,2,4,5-tetrol
CID 175058574
2-methyldodecane-1,3-diol
CID 14736951
16-methylheptadecane-7,8-diol
CID 118508542
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469
3-propylnonane-1,2-diol
CID 142914720

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-decane-1,2,3-triol?
The IUPAC name of (2S,3S)-decane-1,2,3-triol (CID 12619492) is (2S,3S)-decane-1,2,3-triol.
What is the SMILES notation for (2S,3S)-decane-1,2,3-triol?
The canonical SMILES for (2S,3S)-decane-1,2,3-triol is CCCCCCC[C@H](O)[C@@H](O)CO.
What is the InChIKey of (2S,3S)-decane-1,2,3-triol?
The InChIKey is NRQTTYGIVFAJLQ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H22O3/c1-2-3-4-5-6-7-9(12)10(13)8-11/h9-13H,2-8H2,1H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-decane-1,2,3-triol?
(2S,3S)-decane-1,2,3-triol has a molecular weight of 190.28 g/mol, XLogP of 1.06, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-decane-1,2,3-triol is sourced from PubChem (CID 12619492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).