(3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol

C30H52O7 — CID 101054070

IUPAC(3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol
SMILESCC(C)(O)[C@@H](O)CC[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C30H52O7/c1-25(2,32)19(31)11-15-27(5)23(36-27)13-17-28(6)21(34-28)9-10-22-29(7,35-22)18-14-24-30(8,37-24)16-12-20-26(3,4)33-20/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22+,23+,24+,27+,28+,29+,30+/m0/s1
InChIKeyLTOOUMWABDDCCN-JNWGQSMGSA-N
MW524.74 g/mol
LogP4.83
Rot. Bonds16

About (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol

(3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol (PubChem CID 101054070) has the molecular formula C30H52O7 and a molecular weight of 524.74 g/mol. Its IUPAC name is (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol.

Molecular Properties

Compound Name(3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol
PubChem CID101054070
Molecular FormulaC30H52O7
Molecular Weight524.74 g/mol
Exact Mass524.37
IUPAC Name(3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol
SMILESCC(C)(O)[C@@H](O)CC[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)CC[C@@H]1OC1(C)C
InChIInChI=1S/C30H52O7/c1-25(2,32)19(31)11-15-27(5)23(36-27)13-17-28(6)21(34-28)9-10-22-29(7,35-22)18-14-24-30(8,37-24)16-12-20-26(3,4)33-20/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22+,23+,24+,27+,28+,29+,30+/m0/s1
InChIKeyLTOOUMWABDDCCN-JNWGQSMGSA-N
XLogP4.83
TPSA103.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.74
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol?
The IUPAC name of (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol (CID 101054070) is (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol.
What is the SMILES notation for (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol?
The canonical SMILES for (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol is CC(C)(O)[C@@H](O)CC[C@@]1(C)O[C@@H]1CC[C@@]1(C)O[C@@H]1CC[C@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)CC[C@@H]1OC1(C)C.
What is the InChIKey of (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol?
The InChIKey is LTOOUMWABDDCCN-JNWGQSMGSA-N. The full InChI is InChI=1S/C30H52O7/c1-25(2,32)19(31)11-15-27(5)23(36-27)13-17-28(6)21(34-28)9-10-22-29(7,35-22)18-14-24-30(8,37-24)16-12-20-26(3,4)33-20/h19-24,31-32H,9-18H2,1-8H3/t19-,20-,21+,22+,23+,24+,27+,28+,29+,30+/m0/s1.
What are the key properties of (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol?
(3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol has a molecular weight of 524.74 g/mol, XLogP of 4.83, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2R,3R)-3-[2-[(2S)-3,3-dimethyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-3-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]ethyl]-2-methyloxiran-2-yl]-2-methylpentane-2,3-diol is sourced from PubChem (CID 101054070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).